ChemSpider 2D Image | 2-{[5-(3-Amino-3-oxopropyl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)propanamide | C17H19F2N5O2S

2-{[5-(3-Amino-3-oxopropyl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)propanamide

  • Molecular FormulaC17H19F2N5O2S
  • Average mass395.427 Da
  • Monoisotopic mass395.122742 Da
  • ChemSpider ID21962439

More details:

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

2-{[5-(3-Amino-3-oxopropyl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)propanamide [ACD/IUPAC Name]
2-{[5-(3-Amino-3-oxopropyl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophényl)propanamide [French] [ACD/IUPAC Name]
2-{[5-(3-Amino-3-oxopropyl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorphenyl)propanamid [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-propanamide, 4-cyclopropyl-5-[[2-[(2,4-difluorophenyl)amino]-1-methyl-2-oxoethyl]thio]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 97.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.94
ACD/KOC (pH 5.5): 124.55
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.94
ACD/KOC (pH 7.4): 124.55
Polar Surface Area: 128 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 256.3±7.0 cm3

Click to predict properties on the Chemicalize site


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