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-beta-alaninate | C34H41N7O5

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

  • Molecular FormulaC34H41N7O5
  • Average mass627.733 Da
  • Monoisotopic mass627.316895 Da
  • ChemSpider ID16146596

  • 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}amino)methyl]-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}amino)methyl]-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}amino)méthyl]-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]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester [ACD/Index Name]
1785998-63-1 [RN]
211915-06-9 [RN]
Dabigatran etexilate [INN] [USAN] [Wiki]
MFCD16038312 [MDL number]
MFCD22422841 [MDL number]
MFCD24369594 [MDL number]

    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: 177.0±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 2
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 3
    ACD/LogP: 5.67
    ACD/LogD (pH 5.5): 5.66
    ACD/BCF (pH 5.5): 11668.25
    ACD/KOC (pH 5.5): 27778.90
    ACD/LogD (pH 7.4): 5.70
    ACD/BCF (pH 7.4): 12538.13
    ACD/KOC (pH 7.4): 29849.85
    Polar Surface Area: 140 Å2
    Polarizability: 70.2±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 512.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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