ChemSpider 2D Image | 2-{[4-(3-Chloro-4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{1-[2-(cyclopentylamino)-2-oxoethyl]-1H-pyrazol-4-yl}acetamide | C21H24ClN7O2S

2-{[4-(3-Chloro-4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{1-[2-(cyclopentylamino)-2-oxoethyl]-1H-pyrazol-4-yl}acetamide

  • Molecular FormulaC21H24ClN7O2S
  • Average mass473.979 Da
  • Monoisotopic mass473.140076 Da
  • ChemSpider ID34325850

More details:

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

1H-Pyrazole-1-acetamide, 4-[[2-[[4-(3-chloro-4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopentyl- [ACD/Index Name]
2-{[4-(3-Chlor-4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{1-[2-(cyclopentylamino)-2-oxoethyl]-1H-pyrazol-4-yl}acetamid [German] [ACD/IUPAC Name]
2-{[4-(3-Chloro-4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{1-[2-(cyclopentylamino)-2-oxoethyl]-1H-pyrazol-4-yl}acetamide [ACD/IUPAC Name]
2-{[4-(3-Chloro-4-méthylphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{1-[2-(cyclopentylamino)-2-oxoéthyl]-1H-pyrazol-4-yl}acétamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.722
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.64
ACD/KOC (pH 5.5): 930.98
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 98.64
ACD/KOC (pH 7.4): 931.03
Polar Surface Area: 132 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 318.9±7.0 cm3

Click to predict properties on the Chemicalize site


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