ChemSpider 2D Image | 4-[(1E)-3-({2-[(3-{[(2-Ethoxy-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-Ethoxy-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 ID9976079
  • 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-Ethoxy-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-Ethoxy-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-Éthoxy-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-ethoxy-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-Ethoxy-1-methyl-1H-benzoimidazol-4-yloxymethyl)-2,4-dimethyl-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
CHEMBL296865

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: 4.04
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 312.06
ACD/KOC (pH 5.5): 2021.26
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 370.13
ACD/KOC (pH 7.4): 2397.40
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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