Found 329 results

Search term: MF = 'C_{22}H_{27}N_{7}O_{2}S'
ChemSpider 2D Image | 1-[4-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-3-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1-propanone | C22H27N7O2S

1-[4-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-3-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1-propanone

  • Molecular FormulaC22H27N7O2S
  • Average mass453.560 Da
  • Monoisotopic mass453.194702 Da
  • ChemSpider ID30370197

More details:

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

1-[4-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-3-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1-propanon [German] [ACD/IUPAC Name]
1-[4-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)-1-piperidinyl]-3-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1-propanone [ACD/IUPAC Name]
1-[4-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)-1-pipéridinyl]-3-[3-(4-méthoxyphényl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-3-[1,5-dihydro-3-(4-methoxyphenyl)-5-thioxo-4H-1,2,4-triazol-4-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 695.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.6±34.3 °C
Index of Refraction: 1.761
Molar Refractivity: 123.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.52
ACD/KOC (pH 5.5): 223.02
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.16
ACD/KOC (pH 7.4): 184.07
Polar Surface Area: 131 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 300.6±7.0 cm3

Click to predict properties on the Chemicalize site


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