ChemSpider 2D Image | 3-cyclohexyl-1-(2-{methyl[(1-methylpiperidin-3-yl)methyl]amino}-2-oxoethyl)-2-phenyl-1H-indole-6-carboxylic acid | C31H39N3O3

3-cyclohexyl-1-(2-{methyl[(1-methylpiperidin-3-yl)methyl]amino}-2-oxoethyl)-2-phenyl-1H-indole-6-carboxylic acid

  • Molecular FormulaC31H39N3O3
  • Average mass501.660 Da
  • Monoisotopic mass501.299133 Da
  • ChemSpider ID3572070

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-6-carboxylic acid, 3-cyclohexyl-1-[2-[methyl[[(3R)-1-methyl-3-piperidinyl]methyl]amino]-2-oxoethyl]-2-phenyl- [ACD/Index Name]
3-cyclohexyl-1-(2-{methyl[(1-methylpiperidin-3-yl)methyl]amino}-2-oxoethyl)-2-phenyl-1H-indole-6-carboxylic acid
3-Cyclohexyl-1-[2-(methyl{[(3R)-1-methyl-3-piperidinyl]methyl}amino)-2-oxoethyl]-2-phenyl-1H-indol-6-carbonsäure [German] [ACD/IUPAC Name]
3-Cyclohexyl-1-[2-(methyl{[(3R)-1-methyl-3-piperidinyl]methyl}amino)-2-oxoethyl]-2-phenyl-1H-indole-6-carboxylic acid [ACD/IUPAC Name]
Acide 3-cyclohexyl-1-[2-(méthyl{[(3R)-1-méthyl-3-pipéridinyl]méthyl}amino)-2-oxoéthyl]-2-phényl-1H-indole-6-carboxylique [French] [ACD/IUPAC Name]
POO

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 146.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 38.94
ACD/KOC (pH 5.5): 91.71
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 40.96
ACD/KOC (pH 7.4): 96.48
Polar Surface Area: 66 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 410.9±7.0 cm3

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