ChemSpider 2D Image | N-{[4'-({3-Butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)-2-biphenylyl]sulfonyl}benzamide | C33H29F3N4O4S

N-{[4'-({3-Butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)-2-biphenylyl]sulfonyl}benzamide

  • Molecular FormulaC33H29F3N4O4S
  • Average mass634.668 Da
  • Monoisotopic mass634.186157 Da
  • ChemSpider ID8114815

More details:

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

Benzamide, N-[[4'-[[3-butyl-1,5-dihydro-5-oxo-1-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]- [ACD/Index Name]
N-{[4'-({3-Butyl-5-oxo-1-[2-(trifluormethyl)phenyl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)-2-biphenylyl]sulfonyl}benzamid [German] [ACD/IUPAC Name]
N-{[4'-({3-Butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)-2-biphenylyl]sulfonyl}benzamide [ACD/IUPAC Name]
N-{[4'-({3-Butyl-5-oxo-1-[2-(trifluorométhyl)phényl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}méthyl)-2-biphénylyl]sulfonyl}benzamide [French] [ACD/IUPAC Name]
4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid benzoylamide
L-159913
N-{[4'-({3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}methyl)biphenyl-2-yl]sulfonyl}benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 167.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 3541.96
ACD/KOC (pH 5.5): 7074.58
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 281.42
ACD/KOC (pH 7.4): 562.10
Polar Surface Area: 108 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 479.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement