ChemSpider 2D Image | N-{[2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-(~2~H_3_)methyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-beta-alanine | C25H22D3N7O3

N-{[2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-(2H3)methyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alanine

  • Molecular FormulaC25H22D3N7O3
  • Average mass474.530 Da
  • Monoisotopic mass474.220703 Da
  • ChemSpider ID48058365

  • Non-standard isotope - Non-standard isotope

More details:

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

N-{[2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-(2H3)methyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alanin [German] [ACD/IUPAC Name]
N-{[2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-(2H3)methyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alanine [ACD/IUPAC Name]
N-{[2-{[(4-Carbamimidoylphényl)amino]méthyl}-1-(2H3)méthyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-(methyl-d3)-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl- [ACD/Index Name]
1246817-44-6 [RN]
3-[[2-[(4-carbamimidoylanilino)methyl]-1-(trideuteriomethyl)benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
Dabigatran [INN] [USAN] [Wiki]
Dabigatran-d3
N-{2-[(4-Carbamimidoylanilino)methyl]-1-(2H3)methyl-1H-benzimidazole-5-carbonyl}-N-pyridin-2-yl-β-alanine

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 797.1±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 121.6±3.0 kJ/mol
    Flash Point: 435.9±35.7 °C
    Index of Refraction: 1.694
    Molar Refractivity: 130.8±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): -1.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 150 Å2
    Polarizability: 51.9±0.5 10-24cm3
    Surface Tension: 60.9±7.0 dyne/cm
    Molar Volume: 340.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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