ChemSpider 2D Image | 4-{(1E)-3-[(2-{[3-({[2-(Methoxymethyl)-1-methyl-1H-benzimidazol-4-yl]oxy}methyl)-2,4-dimethylphenyl](methyl)amino}-2-oxoethyl)amino]-3-oxo-1-propen-1-yl}-N-methylbenzamide | C33H37N5O5

4-{(1E)-3-[(2-{[3-({[2-(Methoxymethyl)-1-methyl-1H-benzimidazol-4-yl]oxy}methyl)-2,4-dimethylphenyl](methyl)amino}-2-oxoethyl)amino]-3-oxo-1-propen-1-yl}-N-methylbenzamide

  • Molecular FormulaC33H37N5O5
  • Average mass583.677 Da
  • Monoisotopic mass583.279480 Da
  • ChemSpider ID8802492

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(1E)-3-[(2-{[3-({[2-(Methoxymethyl)-1-methyl-1H-benzimidazol-4-yl]oxy}methyl)-2,4-dimethylphenyl](methyl)amino}-2-oxoethyl)amino]-3-oxo-1-propen-1-yl}-N-methylbenzamid [German] [ACD/IUPAC Name]
4-{(1E)-3-[(2-{[3-({[2-(Methoxymethyl)-1-methyl-1H-benzimidazol-4-yl]oxy}methyl)-2,4-dimethylphenyl](methyl)amino}-2-oxoethyl)amino]-3-oxo-1-propen-1-yl}-N-methylbenzamide [ACD/IUPAC Name]
4-{(1E)-3-[(2-{[3-({[2-(Méthoxyméthyl)-1-méthyl-1H-benzimidazol-4-yl]oxy}méthyl)-2,4-diméthylphényl](méthyl)amino}-2-oxoéthyl)amino]-3-oxo-1-propén-1-yl}-N-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(1E)-3-[[2-[[3-[[[2-(methoxymethyl)-1-methyl-1H-benzimidazol-4-yl]oxy]methyl]-2,4-dimethylphenyl]methylamino]-2-oxoethyl]amino]-3-oxo-1-propen-1-yl]-N-methyl- [ACD/Index Name]
4-{(E)-2-[({[3-(2-Methoxymethyl-1-methyl-1H-benzoimidazol-4-yloxymethyl)-2,4-dimethyl-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
CHEMBL298320
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL298320/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 886.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±3.0 kJ/mol
Flash Point: 489.8±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 165.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.63
ACD/KOC (pH 5.5): 1784.44
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 262.08
ACD/KOC (pH 7.4): 1873.47
Polar Surface Area: 115 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 484.1±7.0 cm3

Click to predict properties on the Chemicalize site


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