ChemSpider 2D Image | N-{[3-(5,7-Dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3,4,5-trimethoxybenzamide | C27H27N3O5S


  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID1703313

More details:

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

Benzamide, N-[[[3-(5,7-dimethyl-2-benzoxazolyl)-2-methylphenyl]amino]thioxomethyl]-3,4,5-trimethoxy- [ACD/Index Name]
N-{[3-(5,7-Dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3,4,5-trimethoxybenzamid [German] [ACD/IUPAC Name]
N-{[3-(5,7-Dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3,4,5-trimethoxybenzamide [ACD/IUPAC Name]
N-{[3-(5,7-Diméthyl-1,3-benzoxazol-2-yl)-2-méthylphényl]carbamothioyl}-3,4,5-triméthoxybenzamide [French] [ACD/IUPAC Name]
593238-60-9 [RN]
Benzamide, N-[[[3-(5,7-dimethyl-2-benzoxazolyl)-2-methylphenyl]amino]thioxomethyl]-3,4,5-trimethoxy- (9CI)

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

ZINC02978799 [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: 1.648
    Molar Refractivity: 143.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 6.53
    ACD/LogD (pH 5.5): 5.02
    ACD/BCF (pH 5.5): 3825.60
    ACD/KOC (pH 5.5): 12743.13
    ACD/LogD (pH 7.4): 4.92
    ACD/BCF (pH 7.4): 3031.67
    ACD/KOC (pH 7.4): 10098.54
    Polar Surface Area: 127 Å2
    Polarizability: 57.0±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 394.9±3.0 cm3

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