ChemSpider 2D Image | 1-[(2'-{[2-(Dimethylamino)ethyl]carbamoyl}-4-biphenylyl)methyl]-N-[(1S)-1-(3-isopropylphenyl)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide | C40H46N4O2

1-[(2'-{[2-(Dimethylamino)ethyl]carbamoyl}-4-biphenylyl)methyl]-N-[(1S)-1-(3-isopropylphenyl)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide

  • Molecular FormulaC40H46N4O2
  • Average mass614.819 Da
  • Monoisotopic mass614.362061 Da
  • ChemSpider ID58897030

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2'-{[2-(Dimethylamino)ethyl]carbamoyl}-4-biphenylyl)methyl]-N-[(1S)-1-(3-isopropylphenyl)ethyl]-2,3-dimethyl-1H-indol-5-carboxamid [German] [ACD/IUPAC Name]
1-[(2'-{[2-(Dimethylamino)ethyl]carbamoyl}-4-biphenylyl)methyl]-N-[(1S)-1-(3-isopropylphenyl)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide [ACD/IUPAC Name]
1-[(2'-{[2-(Diméthylamino)éthyl]carbamoyl}-4-biphénylyl)méthyl]-N-[(1S)-1-(3-isopropylphényl)éthyl]-2,3-diméthyl-1H-indole-5-carboxamide [French] [ACD/IUPAC Name]
1H-Indole-5-carboxamide, 1-[[2'-[[[2-(dimethylamino)ethyl]amino]carbonyl][1,1'-biphenyl]-4-yl]methyl]-2,3-dimethyl-N-[(1S)-1-[3-(1-methylethyl)phenyl]ethyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 830.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 456.2±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 188.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 728.71
ACD/KOC (pH 5.5): 903.14
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 35913.43
ACD/KOC (pH 7.4): 44510.09
Polar Surface Area: 66 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 552.1±7.0 cm3

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