ChemSpider 2D Image | (2E)-3-[4-({[1-({[2-(1,3-Benzodioxol-4-yl)-1-cyclopentyl-1H-benzimidazol-5-yl]carbonyl}amino)cyclopentyl]carbonyl}amino)phenyl]acrylic acid | C35H34N4O6

(2E)-3-[4-({[1-({[2-(1,3-Benzodioxol-4-yl)-1-cyclopentyl-1H-benzimidazol-5-yl]carbonyl}amino)cyclopentyl]carbonyl}amino)phenyl]acrylic acid

  • Molecular FormulaC35H34N4O6
  • Average mass606.668 Da
  • Monoisotopic mass606.247864 Da
  • ChemSpider ID4980814

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-({[1-({[2-(1,3-Benzodioxol-4-yl)-1-cyclopentyl-1H-benzimidazol-5-yl]carbonyl}amino)cyclopentyl]carbonyl}amino)phenyl]acrylic acid [ACD/IUPAC Name]
(2E)-3-[4-({[1-({[2-(1,3-Benzodioxol-4-yl)-1-cyclopentyl-1H-benzimidazol-5-yl]carbonyl}amino)cyclopentyl]carbonyl}amino)phenyl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[[[1-[[[2-(1,3-benzodioxol-4-yl)-1-cyclopentyl-1H-benzimidazol-5-yl]carbonyl]amino]cyclopentyl]carbonyl]amino]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[4-({[1-({[2-(1,3-benzodioxol-4-yl)-1-cyclopentyl-1H-benzimidazol-5-yl]carbonyl}amino)cyclopentyl]carbonyl}amino)phényl]acrylique [French] [ACD/IUPAC Name]

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

AIDS221431 [DBID]
AIDS-221431 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 165.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 275.63
ACD/KOC (pH 5.5): 1253.46
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 4.78
ACD/KOC (pH 7.4): 21.72
Polar Surface Area: 132 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 427.6±7.0 cm3

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