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

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

  • Molecular FormulaC34H41N7O5
  • Average mass627.733 Da
  • Monoisotopic mass627.316895 Da
  • ChemSpider ID58801478

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Ethyl N-({2-[({4-[(E)-{[(hexyloxy)carbonyl]hydrazono}methyl]phenyl}amino)methyl]-1-methyl-1H-benzimidazol-5-yl}carbonyl)-N-2-pyridinyl-L-alaninate [ACD/IUPAC Name]
Ethyl-N-({2-[({4-[(E)-{[(hexyloxy)carbonyl]hydrazono}methyl]phenyl}amino)methyl]-1-methyl-1H-benzimidazol-5-yl}carbonyl)-N-2-pyridinyl-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[[2-[[[4-[(E)-[2-[(hexyloxy)carbonyl]hydrazinylidene]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester [ACD/Index Name]
N-({2-[({4-[(E)-{[(Hexyloxy)carbonyl]hydrazono}méthyl]phényl}amino)méthyl]-1-méthyl-1H-benzimidazol-5-yl}carbonyl)-N-2-pyridinyl-L-alaninate d'éthyle [French] [ACD/IUPAC Name]
916327-75-8 [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: 1.608
Molar Refractivity: 176.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8854.00
ACD/KOC (pH 5.5): 22885.96
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9389.16
ACD/KOC (pH 7.4): 24269.26
Polar Surface Area: 140 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 511.1±7.0 cm3

Click to predict properties on the Chemicalize site


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