ChemSpider 2D Image | N-[4-(Dimethylamino)benzyl]-5-(3,4-dimethylphenyl)-N-(1,1-dioxidotetrahydro-3-thiophenyl)-1,2-oxazole-3-carboxamide | C25H29N3O4S

N-[4-(Dimethylamino)benzyl]-5-(3,4-dimethylphenyl)-N-(1,1-dioxidotetrahydro-3-thiophenyl)-1,2-oxazole-3-carboxamide

  • Molecular FormulaC25H29N3O4S
  • Average mass467.581 Da
  • Monoisotopic mass467.187866 Da
  • ChemSpider ID21606183

More details:

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

3-Isoxazolecarboxamide, N-[[4-(dimethylamino)phenyl]methyl]-5-(3,4-dimethylphenyl)-N-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
N-[4-(Dimethylamino)benzyl]-5-(3,4-dimethylphenyl)-N-(1,1-dioxidotetrahydro-3-thiophenyl)-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[4-(Dimethylamino)benzyl]-5-(3,4-dimethylphenyl)-N-(1,1-dioxidotetrahydro-3-thiophenyl)-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
N-[4-(Dimethylamino)benzyl]-5-(3,4-dimethylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1,2-oxazole-3-carboxamide
N-[4-(Diméthylamino)benzyl]-5-(3,4-diméthylphényl)-N-(1,1-dioxydotétrahydro-3-thiophényl)-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
898643-94-2 [RN]
AGN-PC-019O5V
AKOS001531472
AKOS016324773
AS-871/43474999
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 750.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.3±3.0 kJ/mol
    Flash Point: 407.5±32.9 °C
    Index of Refraction: 1.634
    Molar Refractivity: 127.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.41
    ACD/LogD (pH 5.5): 2.72
    ACD/BCF (pH 5.5): 66.64
    ACD/KOC (pH 5.5): 674.46
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 77.00
    ACD/KOC (pH 7.4): 779.34
    Polar Surface Area: 92 Å2
    Polarizability: 50.5±0.5 10-24cm3
    Surface Tension: 62.4±5.0 dyne/cm
    Molar Volume: 356.4±5.0 cm3

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