ChemSpider 2D Image | (2E)-3-[4-({[4-({[1-Cyclohexyl-2-(3-furyl)-1H-benzimidazol-5-yl]carbonyl}amino)-4-piperidinyl]carbonyl}amino)phenyl]acrylic acid | C33H35N5O5

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

  • Molecular FormulaC33H35N5O5
  • Average mass581.661 Da
  • Monoisotopic mass581.263794 Da
  • ChemSpider ID4980799

  • Double-bond stereo - Double-bond stereo

More details:

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

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

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

AIDS221407 [DBID]
AIDS-221407 [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: 1.687
Molar Refractivity: 160.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 6.87
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 8.14
Polar Surface Area: 138 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 422.3±7.0 cm3

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