ChemSpider 2D Image | 4-[(1E)-3-({2-[(3-{[(2-Acetyl-1-methyl-1H-benzimidazol-4-yl)oxy]methyl}-2,4-dimethylphenyl)(methyl)amino]-2-oxoethyl}amino)-3-oxo-1-propen-1-yl]-N-methylbenzamide | C33H35N5O5

4-[(1E)-3-({2-[(3-{[(2-Acetyl-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 FormulaC33H35N5O5
  • Average mass581.661 Da
  • Monoisotopic mass581.263794 Da
  • ChemSpider ID8730652

  • 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-Acetyl-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-Acetyl-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-Acétyl-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-acetyl-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-Acetyl-1-methyl-1H-benzoimidazol-4-yloxymethyl)-2,4-dimethyl-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL295005/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 165.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.93
ACD/KOC (pH 5.5): 959.58
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.01
ACD/KOC (pH 7.4): 960.32
Polar Surface Area: 123 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 474.8±7.0 cm3

Click to predict properties on the Chemicalize site


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