ChemSpider 2D Image | N-(1-{[(2S)-1-[Benzyl(methyl)amino]-3-(2-naphthyl)-1-oxo-2-propanyl]carbamoyl}cyclohexyl)-1H-indole-3-carboxamide | C37H38N4O3

N-(1-{[(2S)-1-[Benzyl(methyl)amino]-3-(2-naphthyl)-1-oxo-2-propanyl]carbamoyl}cyclohexyl)-1H-indole-3-carboxamide

  • Molecular FormulaC37H38N4O3
  • Average mass586.723 Da
  • Monoisotopic mass586.294373 Da
  • ChemSpider ID8092075

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-carboxamide, N-[1-[[[(1S)-2-[methyl(phenylmethyl)amino]-1-(2-naphthalenylmethyl)-2-oxoethyl]amino]carbonyl]cyclohexyl]- [ACD/Index Name]
N-(1-{[(2S)-1-[Benzyl(methyl)amino]-3-(2-naphthyl)-1-oxo-2-propanyl]carbamoyl}cyclohexyl)-1H-indol-3-carboxamid [German] [ACD/IUPAC Name]
N-(1-{[(2S)-1-[Benzyl(methyl)amino]-3-(2-naphthyl)-1-oxo-2-propanyl]carbamoyl}cyclohexyl)-1H-indole-3-carboxamide [ACD/IUPAC Name]
N-(1-{[(2S)-1-[Benzyl(méthyl)amino]-3-(2-naphtyl)-1-oxo-2-propanyl]carbamoyl}cyclohexyl)-1H-indole-3-carboxamide [French] [ACD/IUPAC Name]
N-(1-{[(2S)-1-[benzyl(methyl)amino]-3-(naphthalen-2-yl)-1-oxopropan-2-yl]carbamoyl}cyclohexyl)-1H-indole-3-carboxamide
1H-Indole-3-carboxylic acid {1-[(S)-1-(benzyl-methyl-carbamoyl)-2-naphthalen-2-yl-ethylcarbamoyl]-cyclohexyl}-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL330888/
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 920.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.9±3.0 kJ/mol
Flash Point: 510.2±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 174.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6251.06
ACD/KOC (pH 5.5): 18144.09
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6251.05
ACD/KOC (pH 7.4): 18144.07
Polar Surface Area: 94 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 459.8±5.0 cm3

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