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Search term: AMIBSGKPRJXHLH-PMERELPUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Nalpha-[(4-Chlorophenyl)carbamoyl]-alpha-methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide | C31H34ClN5O2

Nα-[(4-Chlorophenyl)carbamoyl]-α-methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide

  • Molecular FormulaC31H34ClN5O2
  • Average mass544.087 Da
  • Monoisotopic mass543.240112 Da
  • ChemSpider ID23176318

  • 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-[[[(4-chlorophenyl)amino]carbonyl]amino]-α-methyl-N-[[1-(2-pyridinyl)cyclohexyl]methyl]-, (αS)- [ACD/Index Name]
Nα-[(4-Chlorophenyl)carbamoyl]-α-methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide [ACD/IUPAC Name]
Nα-[(4-Chlorophényl)carbamoyl]-α-méthyl-N-{[1-(2-pyridinyl)cyclohexyl]méthyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
Nα-[(4-chlorophenyl)carbamoyl]-α-methyl-N-{[1-(pyridin-2-yl)cyclohexyl]methyl}-L-tryptophanamide
Nα-[(4-Chlorphenyl)carbamoyl]-α-methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
(S)-2-[3-(4-Chloro-phenyl)-ureido]-3-(1H-indol-3-yl)-2-methyl-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide
CHEMBL316085
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL316085/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 782.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.9±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 156.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 6284.67
ACD/KOC (pH 5.5): 14189.84
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14830.52
ACD/KOC (pH 7.4): 33485.08
Polar Surface Area: 99 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 426.7±3.0 cm3

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