ChemSpider 2D Image | N-(2-{[(2S)-4-[(2,4-Dimethylbenzyl)(methyl)amino]-1-(ethylamino)-1-oxo-2-butanyl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide | C26H33F3N4O3

N-(2-{[(2S)-4-[(2,4-Dimethylbenzyl)(methyl)amino]-1-(ethylamino)-1-oxo-2-butanyl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID23307124

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[2-[[(1S)-3-[[(2,4-dimethylphenyl)methyl]methylamino]-1-[(ethylamino)carbonyl]propyl]amino]-2-oxoethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-(2-{[(2S)-4-[(2,4-Dimethylbenzyl)(methyl)amino]-1-(ethylamino)-1-oxo-2-butanyl]amino}-2-oxoethyl)-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-(2-{[(2S)-4-[(2,4-Dimethylbenzyl)(methyl)amino]-1-(ethylamino)-1-oxo-2-butanyl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-(2-{[(2S)-4-[(2,4-Diméthylbenzyl)(méthyl)amino]-1-(éthylamino)-1-oxo-2-butanyl]amino}-2-oxoéthyl)-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-(2-{[(2S)-4-[(2,4-dimethylbenzyl)(methyl)amino]-1-(ethylamino)-1-oxobutan-2-yl]amino}-2-oxoethyl)-3-(trifluoromethyl)benzamide
(S)-N-(2-(4-((2,4-dimethylbenzyl)(methyl)amino)-1-(ethylamino)-1-oxobutan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CHEMBL400793
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400793/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.3±32.9 °C
Index of Refraction: 1.532
Molar Refractivity: 131.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.32
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 37.94
ACD/KOC (pH 7.4): 248.81
Polar Surface Area: 91 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 424.6±3.0 cm3

Click to predict properties on the Chemicalize site


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