ChemSpider 2D Image | (2E)-3-[4-({[1-({[1-Cyclohexyl-2-(3-furyl)-1H-benzimidazol-5-yl]carbonyl}amino)cyclopentyl]carbonyl}amino)phenyl]acrylic acid | C33H34N4O5

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

  • Molecular FormulaC33H34N4O5
  • Average mass566.647 Da
  • Monoisotopic mass566.252930 Da
  • ChemSpider ID4980789

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-({[1-({[1-Cyclohexyl-2-(3-furyl)-1H-benzimidazol-5-yl]carbonyl}amino)cyclopentyl]carbonyl}amino)phenyl]acrylic acid [ACD/IUPAC Name]
(2E)-3-[4-({[1-({[1-Cyclohexyl-2-(3-furyl)-1H-benzimidazol-5-yl]carbonyl}amino)cyclopentyl]carbonyl}amino)phenyl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[[[1-[[[1-cyclohexyl-2-(3-furanyl)-1H-benzimidazol-5-yl]carbonyl]amino]cyclopentyl]carbonyl]amino]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[4-({[1-({[1-cyclohexyl-2-(3-furyl)-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

AIDS221378 [DBID]
AIDS-221378 [DBID]
AIDS221402 [DBID]
AIDS-221402 [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: 1.680
Molar Refractivity: 157.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 403.47
ACD/KOC (pH 5.5): 1649.60
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 6.94
ACD/KOC (pH 7.4): 28.39
Polar Surface Area: 126 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 417.7±7.0 cm3

Click to predict properties on the Chemicalize site


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