Found 2 results

Search term: MF = 'C_{22}H_{22}Cl_{3}N_{5}O_{4}'
ChemSpider 2D Image | [4-(5-{4-[(2S)-2-Amino-3-hydroxypropoxy]-3,5-dichlorophenyl}-1,2,4-oxadiazol-3-yl)-1-piperazinyl](3-chlorophenyl)methanone | C22H22Cl3N5O4

[4-(5-{4-[(2S)-2-Amino-3-hydroxypropoxy]-3,5-dichlorophenyl}-1,2,4-oxadiazol-3-yl)-1-piperazinyl](3-chlorophenyl)methanone

  • Molecular FormulaC22H22Cl3N5O4
  • Average mass526.800 Da
  • Monoisotopic mass525.073730 Da
  • ChemSpider ID58120786

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[4-(5-{4-[(2S)-2-Amino-3-hydroxypropoxy]-3,5-dichlorophenyl}-1,2,4-oxadiazol-3-yl)-1-piperazinyl](3-chlorophenyl)methanone [ACD/IUPAC Name]
[4-(5-{4-[(2S)-2-Amino-3-hydroxypropoxy]-3,5-dichlorophényl}-1,2,4-oxadiazol-3-yl)-1-pipérazinyl](3-chlorophényl)méthanone [French] [ACD/IUPAC Name]
[4-(5-{4-[(2S)-2-Amino-3-hydroxypropoxy]-3,5-dichlorphenyl}-1,2,4-oxadiazol-3-yl)-1-piperazinyl](3-chlorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [4-[5-[4-[(2S)-2-amino-3-hydroxypropoxy]-3,5-dichlorophenyl]-1,2,4-oxadiazol-3-yl]-1-piperazinyl](3-chlorophenyl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3344426/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 743.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 403.5±35.7 °C
Index of Refraction: 1.635
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 16.61
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 77.87
ACD/KOC (pH 7.4): 641.33
Polar Surface Area: 118 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 358.7±3.0 cm3

Click to predict properties on the Chemicalize site


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