ChemSpider 2D Image | N,N-Diethyl-7-methoxy-2-thioxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide | C13H16N2O3S

N,N-Diethyl-7-methoxy-2-thioxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide

  • Molecular FormulaC13H16N2O3S
  • Average mass280.343 Da
  • Monoisotopic mass280.088165 Da
  • ChemSpider ID22752403

More details:

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

1020242-40-3 [RN]
5-Benzoxazolecarboxamide, N,N-diethyl-2,3-dihydro-7-methoxy-2-thioxo- [ACD/Index Name]
N,N-Diethyl-7-methoxy-2-thioxo-2,3-dihydro-1,3-benzoxazol-5-carboxamid [German] [ACD/IUPAC Name]
N,N-Diethyl-7-methoxy-2-thioxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide [ACD/IUPAC Name]
N,N-Diéthyl-7-méthoxy-2-thioxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide [French] [ACD/IUPAC Name]
MFCD12033648 [MDL number]
N,N-diethyl(7-methoxy-2-sulfanylbenzoxazol-5-yl)carboxamide
N,N-diethyl-2-mercapto-7-methoxy-1,3-benzoxazole-5-carboxamide
N,N-Diethyl-2-mercapto-7-methoxybenzo[d]oxazole-5-carboxamide
N,N-diethyl-7-methoxy-2-sulfanylidene-3H-1,3-benzoxazole-5-carboxamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 458.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.9±3.0 kJ/mol
    Flash Point: 231.1±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 77.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): -0.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.85
    ACD/LogD (pH 7.4): -1.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 94 Å2
    Polarizability: 30.5±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 224.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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