ChemSpider 2D Image | 2-(4-{4-[(2-Amino-2-oxoethyl)sulfanyl]phenyl}-1H-pyrazol-1-yl)-N-(2-methyl-2H-1,2,3-triazol-4-yl)acetamide | C16H17N7O2S

2-(4-{4-[(2-Amino-2-oxoethyl)sulfanyl]phenyl}-1H-pyrazol-1-yl)-N-(2-methyl-2H-1,2,3-triazol-4-yl)acetamide

  • Molecular FormulaC16H17N7O2S
  • Average mass371.417 Da
  • Monoisotopic mass371.116455 Da
  • ChemSpider ID22413623

More details:

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

1H-Pyrazole-1-acetamide, 4-[4-[(2-amino-2-oxoethyl)thio]phenyl]-N-(2-methyl-2H-1,2,3-triazol-4-yl)- [ACD/Index Name]
2-(4-{4-[(2-Amino-2-oxoethyl)sulfanyl]phenyl}-1H-pyrazol-1-yl)-N-(2-methyl-2H-1,2,3-triazol-4-yl)acetamid [German] [ACD/IUPAC Name]
2-(4-{4-[(2-Amino-2-oxoethyl)sulfanyl]phenyl}-1H-pyrazol-1-yl)-N-(2-methyl-2H-1,2,3-triazol-4-yl)acetamide [ACD/IUPAC Name]
2-(4-{4-[(2-Amino-2-oxoéthyl)sulfanyl]phényl}-1H-pyrazol-1-yl)-N-(2-méthyl-2H-1,2,3-triazol-4-yl)acétamide [French] [ACD/IUPAC Name]
2-(4-{4-[(2-amino-2-oxoethyl)thio]phenyl}-1H-pyrazol-1-yl)-N-(2-methyl-2H-1,2,3-triazol-4-yl)acetamide

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: 1.732
Molar Refractivity: 100.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.47
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 39.42
Polar Surface Area: 146 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 250.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement