ChemSpider 2D Image | Nalpha-[(3,4-Dichlorophenyl)carbamoyl]-alpha-methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide | C31H33Cl2N5O2

Nα-[(3,4-Dichlorophenyl)carbamoyl]-α-methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide

  • Molecular FormulaC31H33Cl2N5O2
  • Average mass578.532 Da
  • Monoisotopic mass577.201111 Da
  • ChemSpider ID23176317

  • 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-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]-α-methyl-N-[[1-(2-pyridinyl)cyclohexyl]methyl]-, (αS)- [ACD/Index Name]
Nα-[(3,4-Dichlorophenyl)carbamoyl]-α-methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamide [ACD/IUPAC Name]
Nα-[(3,4-Dichlorophényl)carbamoyl]-α-méthyl-N-{[1-(2-pyridinyl)cyclohexyl]méthyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
Nα-[(3,4-dichlorophenyl)carbamoyl]-α-methyl-N-{[1-(pyridin-2-yl)cyclohexyl]methyl}-L-tryptophanamide
Nα-[(3,4-Dichlorphenyl)carbamoyl]-α-methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
(S)-2-[3-(3,4-Dichloro-phenyl)-ureido]-3-(1H-indol-3-yl)-2-methyl-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide
CHEMBL327678
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL327678/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 797.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 436.2±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 19555.13
ACD/KOC (pH 5.5): 31977.65
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 46144.53
ACD/KOC (pH 7.4): 75458.13
Polar Surface Area: 99 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 438.7±3.0 cm3

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