ChemSpider 2D Image | AVORALSTAT | C28H27N5O5

AVORALSTAT

  • Molecular FormulaC28H27N5O5
  • Average mass513.544 Da
  • Monoisotopic mass513.201233 Da
  • ChemSpider ID34994574

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

2-Pyridinecarboxylic acid, 3-[2-[[[4-[(Z)-aminoiminomethyl]phenyl]amino]carbonyl]-4-ethenyl-5-methoxyphenyl]-6-[[(cyclopropylmethyl)amino]carbonyl]- [ACD/Index Name]
3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid
3-{2-[(4-Carbamimidoylphenyl)carbamoyl]-5-methoxy-4-vinylphenyl}-6-[(cyclopropylmethyl)carbamoyl]-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
3-{2-[(4-Carbamimidoylphenyl)carbamoyl]-5-methoxy-4-vinylphenyl}-6-[(cyclopropylmethyl)carbamoyl]-2-pyridinecarboxylic acid [ACD/IUPAC Name]
918407-35-9 [RN]
Acide 3-{2-[(4-carbamimidoylphényl)carbamoyl]-5-méthoxy-4-vinylphényl}-6-[(cyclopropylméthyl)carbamoyl]-2-pyridinecarboxylique [French] [ACD/IUPAC Name]
avoralstat [Spanish] [INN]
avoralstat [French] [INN]
AVORALSTAT [INN]
avoralstatum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10052 [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: 1.673
    Molar Refractivity: 138.8±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 0.80
    ACD/LogD (pH 5.5): -0.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 167 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 56.9±7.0 dyne/cm
    Molar Volume: 370.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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