ChemSpider 2D Image | (2R,4S)-(+-)-terconazole | C26H31Cl2N5O3

(2R,4S)-(±)-terconazole

  • Molecular FormulaC26H31Cl2N5O3
  • Average mass532.462 Da
  • Monoisotopic mass531.180420 Da
  • ChemSpider ID390122

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,4S)-(±)-terconazole
(2R,4S)-terconazole
1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(1-methylethyl)piperazine
1-(4-{[(2R,4S)-2-(2,4-dichlorophényl)-2-(1H-1,2,4-triazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthoxy}phényl)-4-(1-méthyléthyl)pipérazine [French]
1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine
1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine [ACD/IUPAC Name]
1-(4-{[(2R,4S)-2-(2,4-Dichlorophényl)-2-(1H-1,2,4-triazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthoxy}phényl)-4-isopropylpipérazine [French] [ACD/IUPAC Name]
1-(4-{[(2R,4S)-2-(2,4-Dichlorphenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(1-methylethyl)piperazin
1-(4-{[(2R,4S)-2-(2,4-Dichlorphenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazin [German] [ACD/IUPAC Name]
267-751-6 [EINECS]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS096141 [DBID]
AIDS-096141 [DBID]
C08080 [DBID]
D00888 [DBID]
NCGC00016912-01 [DBID]
Prestwick_812 [DBID]
Prestwick0_000495 [DBID]
Prestwick1_000495 [DBID]
R 42470 [DBID]
R-42470 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      G01AG02 Wikidata Q7701687

    • Target Organs:

      Antibiotic TargetMol T2213

    • Chemical Class:

      A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1<element>H</element>-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have < stereo>R</stereo> and <stereo>S</stereo> configuration, respectively. ChEBI CHEBI:82980
      A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuratio n, respectively. ChEBI CHEBI:82980

    • Bio Activity:

      14-?? Demethylase TargetMol T2213
      Microbiology & Virology TargetMol T2213

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 681.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.1±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 15.75
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 134.79
ACD/KOC (pH 7.4): 776.71
Polar Surface Area: 65 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 391.5±7.0 cm3

Click to predict properties on the Chemicalize site


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