ChemSpider 2D Image | N-[4-Fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-{[3-(1H-imidazol-1-yl)propanoyl]amino}benzamide | C26H26FN7O2

N-[4-Fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-{[3-(1H-imidazol-1-yl)propanoyl]amino}benzamide

  • Molecular FormulaC26H26FN7O2
  • Average mass487.529 Da
  • Monoisotopic mass487.213196 Da
  • ChemSpider ID70820973

More details:

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

1H-Imidazole-1-propanamide, N-[3-[[[4-fluoro-3-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)phenyl]amino]carbonyl]phenyl]- [ACD/Index Name]
N-[4-Fluor-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-{[3-(1H-imidazol-1-yl)propanoyl]amino}benzamid [German] [ACD/IUPAC Name]
N-[4-Fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-{[3-(1H-imidazol-1-yl)propanoyl]amino}benzamide [ACD/IUPAC Name]
N-[4-Fluoro-3-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-yl)phényl]-3-{[3-(1H-imidazol-1-yl)propanoyl]amino}benzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 134.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 19.69
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 24.98
ACD/KOC (pH 7.4): 325.61
Polar Surface Area: 107 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 350.6±7.0 cm3

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