ChemSpider 2D Image | 1-[2-({3-[(Cyclohexylcarbonyl)amino]-4-fluorophenyl}amino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylic acid | C18H20FN5O4

1-[2-({3-[(Cyclohexylcarbonyl)amino]-4-fluorophenyl}amino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC18H20FN5O4
  • Average mass389.381 Da
  • Monoisotopic mass389.149933 Da
  • ChemSpider ID57798118

More details:






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

1-[2-({3-[(Cyclohexylcarbonyl)amino]-4-fluorophenyl}amino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1-[2-({3-[(Cyclohexylcarbonyl)amino]-4-fluorphenyl}amino)-2-oxoethyl]-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[2-[[3-[(cyclohexylcarbonyl)amino]-4-fluorophenyl]amino]-2-oxoethyl]- [ACD/Index Name]
Acide 1-[2-({3-[(cyclohexylcarbonyl)amino]-4-fluorophényl}amino)-2-oxoéthyl]-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 97.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.54
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 258.4±7.0 cm3

Click to predict properties on the Chemicalize site






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