ChemSpider 2D Image | N-[3-(trifluoromethyl)benzoyl]glycyl-N-tert-butyl-3-[(2-ethylbenzyl)amino]-L-alaninamide | C26H33F3N4O3

N-[3-(trifluoromethyl)benzoyl]glycyl-N-tert-butyl-3-[(2-ethylbenzyl)amino]-L-alaninamide

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID23307143

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alaninamide, N-[3-(trifluoromethyl)benzoyl]glycyl-N-(1,1-dimethylethyl)-3-[[(2-ethylphenyl)methyl]amino]- [ACD/Index Name]
N-[3-(Trifluormethyl)benzoyl]glycyl-3-[(2-ethylbenzyl)amino]-N-(2-methyl-2-propanyl)-L-alaninamid [German] [ACD/IUPAC Name]
N-[3-(Trifluoromethyl)benzoyl]glycyl-3-[(2-ethylbenzyl)amino]-N-(2-methyl-2-propanyl)-L-alaninamide [ACD/IUPAC Name]
N-[3-(Trifluorométhyl)benzoyl]glycyl-3-[(2-éthylbenzyl)amino]-N-(2-méthyl-2-propanyl)-L-alaninamide [French] [ACD/IUPAC Name]
N-[3-(trifluoromethyl)benzoyl]glycyl-N-tert-butyl-3-[(2-ethylbenzyl)amino]-L-alaninamide
(S)-N-(2-(3-(2-ethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CHEMBL400159
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400159/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 710.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.7±32.9 °C
Index of Refraction: 1.528
Molar Refractivity: 131.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 13.79
ACD/KOC (pH 5.5): 81.91
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 344.86
ACD/KOC (pH 7.4): 2048.11
Polar Surface Area: 99 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 426.5±3.0 cm3

Click to predict properties on the Chemicalize site


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