ChemSpider 2D Image | N-[(2,5-Dimethoxyphenyl)carbamothioyl]-2-(3-isopropoxyphenyl)-4-quinolinecarboxamide | C28H27N3O4S

N-[(2,5-Dimethoxyphenyl)carbamothioyl]-2-(3-isopropoxyphenyl)-4-quinolinecarboxamide

  • Molecular FormulaC28H27N3O4S
  • Average mass501.597 Da
  • Monoisotopic mass501.172241 Da
  • ChemSpider ID861798

More details:

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

4-Quinolinecarboxamide, N-[[(2,5-dimethoxyphenyl)amino]thioxomethyl]-2-[3-(1-methylethoxy)phenyl]- [ACD/Index Name]
N-[(2,5-Dimethoxyphenyl)carbamothioyl]-2-(3-isopropoxyphenyl)-4-chinolincarboxamid [German] [ACD/IUPAC Name]
N-[(2,5-Diméthoxyphényl)carbamothioyl]-2-(3-isopropoxyphényl)-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[(2,5-Dimethoxyphenyl)carbamothioyl]-2-(3-isopropoxyphenyl)-4-quinolinecarboxamide [ACD/IUPAC Name]
N-[(2,5-Dimethoxyphenyl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide
1-(2,5-Dimethoxy-phenyl)-3-[2-(3-isopropoxy-phenyl)-quinoline-4-carbonyl]-thiourea
445237-54-7 [RN]
LKNQQNHVKQOMCU-UHFFFAOYSA-N
N-(2,5-dimethoxyphenyl)-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea
N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/41024591 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.658
    Molar Refractivity: 146.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.58
    ACD/LogD (pH 5.5): 4.96
    ACD/BCF (pH 5.5): 3154.25
    ACD/KOC (pH 5.5): 9934.32
    ACD/LogD (pH 7.4): 3.69
    ACD/BCF (pH 7.4): 167.73
    ACD/KOC (pH 7.4): 528.25
    Polar Surface Area: 114 Å2
    Polarizability: 57.9±0.5 10-24cm3
    Surface Tension: 54.9±3.0 dyne/cm
    Molar Volume: 396.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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