ChemSpider 2D Image | PD 165929 | C37H47N5O2

PD 165929

  • Molecular FormulaC37H47N5O2
  • Average mass593.801 Da
  • Monoisotopic mass593.372986 Da
  • ChemSpider ID4470851

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-propanamide, α-[[[[2,6-bis(1-methylethyl)phenyl]amino]carbonyl]amino]-α-methyl-N-[[1-(2-pyridinyl)cyclohexyl]methyl]-, (αS)- [ACD/Index Name]
Nα-[(2,6-Diisopropylphenyl)carbamoyl]-α-methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
Nα-[(2,6-Diisopropylphenyl)carbamoyl]-α-methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide [ACD/IUPAC Name]
Nα-[(2,6-Diisopropylphényl)carbamoyl]-α-méthyl-N-{[1-(2-pyridinyl)cyclohexyl]méthyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
Nα-{[2,6-di(propan-2-yl)phenyl]carbamoyl}-α-methyl-N-{[1-(pyridin-2-yl)cyclohexyl]methyl}-L-tryptophanamide
PD 165929
(2S)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
(S)-2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-indol-3-yl)-2-methyl-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide
185215-75-2 [RN]
CHEMBL86828
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 779.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 425.0±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 179.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 45682.36
ACD/KOC (pH 5.5): 58694.01
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 107812.37
ACD/KOC (pH 7.4): 138520.42
Polar Surface Area: 99 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 514.9±3.0 cm3

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