ChemSpider 2D Image | N-Cyclopentyl-1-(2-{[(2,5-difluorophenyl)carbamoyl]amino}ethyl)-1H-benzotriazole-5-carboxamide | C21H22F2N6O2

N-Cyclopentyl-1-(2-{[(2,5-difluorophenyl)carbamoyl]amino}ethyl)-1H-benzotriazole-5-carboxamide

  • Molecular FormulaC21H22F2N6O2
  • Average mass428.435 Da
  • Monoisotopic mass428.177216 Da
  • ChemSpider ID29111672

More details:

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

1H-1,2,3-Benzotriazole-5-carboxamide, N-cyclopentyl-1-[2-[[[(2,5-difluorophenyl)amino]carbonyl]amino]ethyl]- [ACD/Index Name]
N-Cyclopentyl-1-(2-{[(2,5-difluorophenyl)carbamoyl]amino}ethyl)-1H-benzotriazole-5-carboxamide [ACD/IUPAC Name]
N-Cyclopentyl-1-(2-{[(2,5-difluorophényl)carbamoyl]amino}éthyl)-1H-benzotriazole-5-carboxamide [French] [ACD/IUPAC Name]
N-Cyclopentyl-1-(2-{[(2,5-difluorphenyl)carbamoyl]amino}ethyl)-1H-benzotriazol-5-carboxamid [German] [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: 654.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.6±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.92
ACD/KOC (pH 5.5): 836.35
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.90
ACD/KOC (pH 7.4): 836.16
Polar Surface Area: 101 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 291.0±7.0 cm3

Click to predict properties on the Chemicalize site


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