Found 1 result

Search term: KBRYXXQXNXKGKB-PMERELPUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | alpha-Methyl-Nalpha-(phenylcarbamoyl)-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide | C31H35N5O2

α-Methyl-Nα-(phenylcarbamoyl)-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide

  • Molecular FormulaC31H35N5O2
  • Average mass509.642 Da
  • Monoisotopic mass509.279083 Da
  • ChemSpider ID23176319

  • 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-methyl-α-[[(phenylamino)carbonyl]amino]-N-[[1-(2-pyridinyl)cyclohexyl]methyl]-, (αS)- [ACD/Index Name]
α-Methyl-Nα-(phenylcarbamoyl)-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
α-Methyl-Nα-(phenylcarbamoyl)-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide [ACD/IUPAC Name]
α-Méthyl-Nα-(phénylcarbamoyl)-N-{[1-(2-pyridinyl)cyclohexyl]méthyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
α-methyl-Nα-(phenylcarbamoyl)-N-{[1-(pyridin-2-yl)cyclohexyl]methyl}-L-tryptophanamide
(S)-3-(1H-Indol-3-yl)-2-methyl-2-(3-phenyl-ureido)-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide
CHEMBL87079

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

Density: 1.2±0.1 g/cm3
Boiling Point: 766.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.2±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 1708.92
ACD/KOC (pH 5.5): 5586.69
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4030.95
ACD/KOC (pH 7.4): 13177.70
Polar Surface Area: 99 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 414.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement