ChemSpider 2D Image | N-(3-{1-[(1R)-5,7-Difluoro-1,2,3,4-tetrahydro-1-naphthalenyl]-1H-1,2,3-triazol-4-yl}-4-fluorophenyl)-4-(4H-1,2,4-triazol-3-ylmethyl)benzamide | C28H22F3N7O

N-(3-{1-[(1R)-5,7-Difluoro-1,2,3,4-tetrahydro-1-naphthalenyl]-1H-1,2,3-triazol-4-yl}-4-fluorophenyl)-4-(4H-1,2,4-triazol-3-ylmethyl)benzamide

  • Molecular FormulaC28H22F3N7O
  • Average mass529.516 Da
  • Monoisotopic mass529.183777 Da
  • ChemSpider ID117244240

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[3-[1-[(1R)-5,7-difluoro-1,2,3,4-tetrahydro-1-naphthalenyl]-1H-1,2,3-triazol-4-yl]-4-fluorophenyl]-4-(4H-1,2,4-triazol-3-ylmethyl)- [ACD/Index Name]
N-(3-{1-[(1R)-5,7-Difluor-1,2,3,4-tetrahydro-1-naphthalinyl]-1H-1,2,3-triazol-4-yl}-4-fluorphenyl)-4-(4H-1,2,4-triazol-3-ylmethyl)benzamid [German] [ACD/IUPAC Name]
N-(3-{1-[(1R)-5,7-Difluoro-1,2,3,4-tétrahydro-1-naphtalényl]-1H-1,2,3-triazol-4-yl}-4-fluorophényl)-4-(4H-1,2,4-triazol-3-ylméthyl)benzamide [French] [ACD/IUPAC Name]
N-(3-{1-[(1R)-5,7-Difluoro-1,2,3,4-tetrahydro-1-naphthalenyl]-1H-1,2,3-triazol-4-yl}-4-fluorophenyl)-4-(4H-1,2,4-triazol-3-ylmethyl)benzamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 715.86
ACD/KOC (pH 5.5): 3843.18
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 716.51
ACD/KOC (pH 7.4): 3846.67
Polar Surface Area: 101 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 356.5±7.0 cm3

Click to predict properties on the Chemicalize site


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