ChemSpider 2D Image | N-[3-(Trifluoromethyl)benzoyl]glycyl-3-[(2,4-dimethylbenzyl)amino]-N-isobutyl-L-alaninamide | C26H33F3N4O3

N-[3-(Trifluoromethyl)benzoyl]glycyl-3-[(2,4-dimethylbenzyl)amino]-N-isobutyl-L-alaninamide

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID23307131

  • 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-3-[[(2,4-dimethylphenyl)methyl]amino]-N-(2-methylpropyl)- [ACD/Index Name]
N-[3-(Trifluormethyl)benzoyl]glycyl-3-[(2,4-dimethylbenzyl)amino]-N-isobutyl-L-alaninamid [German] [ACD/IUPAC Name]
N-[3-(trifluoromethyl)benzoyl]glycyl-3-[(2,4-dimethylbenzyl)amino]-N-(2-methylpropyl)-L-alaninamide
N-[3-(Trifluoromethyl)benzoyl]glycyl-3-[(2,4-dimethylbenzyl)amino]-N-isobutyl-L-alaninamide [ACD/IUPAC Name]
N-[3-(Trifluorométhyl)benzoyl]glycyl-3-[(2,4-diméthylbenzyl)amino]-N-isobutyl-L-alaninamide [French] [ACD/IUPAC Name]
(S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(isobutylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CHEMBL248423

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

Density: 1.2±0.1 g/cm3
Boiling Point: 724.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 391.9±32.9 °C
Index of Refraction: 1.529
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: 5.59
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 9.69
ACD/KOC (pH 5.5): 56.20
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 315.95
ACD/KOC (pH 7.4): 1833.23
Polar Surface Area: 99 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 426.5±3.0 cm3

Click to predict properties on the Chemicalize site


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