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Search term: ILJBXVQOPJTFJY-PMERELPUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | alpha-Methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-Nalpha-{[4-(trifluoromethyl)phenyl]carbamoyl}-L-tryptophanamide | C32H34F3N5O2

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

  • Molecular FormulaC32H34F3N5O2
  • Average mass577.640 Da
  • Monoisotopic mass577.266479 Da
  • ChemSpider ID23176273

  • 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-N-[[1-(2-pyridinyl)cyclohexyl]methyl]-α-[[[[4-(trifluoromethyl)phenyl]amino]carbonyl]amino]-, (αS)- [ACD/Index Name]
204066-83-1 [RN]
α-Methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-Nα-{[4-(trifluormethyl)phenyl]carbamoyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
α-Methyl-N-{[1-(2-pyridinyl)cyclohexyl]methyl}-Nα-{[4-(trifluoromethyl)phenyl]carbamoyl}-L-tryptophanamide [ACD/IUPAC Name]
α-Méthyl-N-{[1-(2-pyridinyl)cyclohexyl]méthyl}-Nα-{[4-(trifluorométhyl)phényl]carbamoyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
α-methyl-N-{[1-(pyridin-2-yl)cyclohexyl]methyl}-Nα-{[4-(trifluoromethyl)phenyl]carbamoyl}-L-tryptophanamide
(S)-3-(1H-Indol-3-yl)-2-methyl-N-(1-pyridin-2-yl-cyclohexylmethyl)-2-[3-(4-trifluoromethyl-phenyl)-ureido]-propionamide
CHEMBL90614

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.2±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 156.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 8822.63
ACD/KOC (pH 5.5): 18089.43
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 20819.28
ACD/KOC (pH 7.4): 42686.68
Polar Surface Area: 99 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 448.3±3.0 cm3

Click to predict properties on the Chemicalize site


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