ChemSpider 2D Image | N-{2-[Benzyl(methyl)amino]-2-oxo-1-phenylethyl}-1-methyl-5-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)-1H-indole-2-carboxamidato(3-) | C40H33F3N4O3

N-{2-[Benzyl(methyl)amino]-2-oxo-1-phenylethyl}-1-methyl-5-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)-1H-indole-2-carboxamidato(3-)

  • Molecular FormulaC40H33F3N4O3
  • Average mass674.710 Da
  • Monoisotopic mass674.250488 Da
  • ChemSpider ID21238979

More details:

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

1H-Indole-2-carboxamide, 1-methyl-N-[2-[methyl(phenylmethyl)amino]-2-oxo-1-phenylethyl]-5-[[[4'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]carbonyl]amino]- [ACD/Index Name]
N-{2-[Benzyl(methyl)amino]-2-oxo-1-phenylethyl}-1-methyl-5-({[4'-(trifluormethyl)-2-biphenylyl]carbonyl}amino)-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-{2-[Benzyl(methyl)amino]-2-oxo-1-phenylethyl}-1-methyl-5-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)-1H-indole-2-carboxamidato(3-) [ACD/IUPAC Name]
N-{2-[Benzyl(méthyl)amino]-2-oxo-1-phényléthyl}-1-méthyl-5-({[4'-(trifluorométhyl)-2-biphénylyl]carbonyl}amino)-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]

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: 1.614
Molar Refractivity: 188.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.44
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 76526.69
ACD/KOC (pH 5.5): 90510.09
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 50224.69
ACD/KOC (pH 7.4): 59402.04
Polar Surface Area: 87 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 539.0±7.0 cm3

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