ChemSpider 2D Image | Ethyl N-({2-[{4-[(E)-{[(hexyloxy)carbonyl]hydrazono}methyl]phenyl}(methyl)amino]-1-methyl-1H-benzimidazol-5-yl}carbonyl)-N-2-pyridinyl-beta-alaninate | C34H41N7O5

Ethyl N-({2-[{4-[(E)-{[(hexyloxy)carbonyl]hydrazono}methyl]phenyl}(methyl)amino]-1-methyl-1H-benzimidazol-5-yl}carbonyl)-N-2-pyridinyl-β-alaninate

  • Molecular FormulaC34H41N7O5
  • Average mass627.733 Da
  • Monoisotopic mass627.316895 Da
  • ChemSpider ID29364272

  • Double-bond stereo - Double-bond stereo

More details:

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

Ethyl N-({2-[{4-[(E)-{[(hexyloxy)carbonyl]hydrazono}methyl]phenyl}(methyl)amino]-1-methyl-1H-benzimidazol-5-yl}carbonyl)-N-2-pyridinyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-({2-[{4-[(E)-{[(hexyloxy)carbonyl]hydrazono}methyl]phenyl}(methyl)amino]-1-methyl-1H-benzimidazol-5-yl}carbonyl)-N-2-pyridinyl-β-alaninat [German] [ACD/IUPAC Name]
N-({2-[{4-[(E)-{[(Hexyloxy)carbonyl]hydrazono}méthyl]phényl}(méthyl)amino]-1-méthyl-1H-benzimidazol-5-yl}carbonyl)-N-2-pyridinyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[2-[[4-[(E)-[2-[(hexyloxy)carbonyl]hydrazinylidene]methyl]phenyl]methylamino]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester [ACD/Index Name]
(E)-hexyl 2-(4-((5-((3-ethoxy-3-oxopropyl)(pyridin-2-yl)carbamoyl)-1-methyl-1H-benzo[d]imidazol-2-yl)methylamino)benzylidene)hydrazinecarboxylate
872728-81-9 [RN]

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: 1.603
Molar Refractivity: 177.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5086.62
ACD/KOC (pH 5.5): 13730.71
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8004.28
ACD/KOC (pH 7.4): 21606.56
Polar Surface Area: 131 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 517.2±7.0 cm3

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