ChemSpider 2D Image | 2-Methyl-2-propanyl ({trans-4-[(1,1-dioxido-2,3-dihydro-3-thiophenyl)carbamoyl]cyclohexyl}methyl)carbamate | C17H28N2O5S

2-Methyl-2-propanyl ({trans-4-[(1,1-dioxido-2,3-dihydro-3-thiophenyl)carbamoyl]cyclohexyl}methyl)carbamate

  • Molecular FormulaC17H28N2O5S
  • Average mass372.480 Da
  • Monoisotopic mass372.171906 Da
  • ChemSpider ID21771985

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

({trans-4-[(1,1-Dioxydo-2,3-dihydro-3-thiophényl)carbamoyl]cyclohexyl}méthyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl ({trans-4-[(1,1-dioxido-2,3-dihydro-3-thiophenyl)carbamoyl]cyclohexyl}methyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-({trans-4-[(1,1-dioxido-2,3-dihydro-3-thiophenyl)carbamoyl]cyclohexyl}methyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[trans-4-[[(2,3-dihydro-1,1-dioxido-3-thienyl)amino]carbonyl]cyclohexyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
[4-(1,1-Dioxo-2,3-dihydro-1H-1λ*6*-thiophen-3-ylcarbamoyl)-cyclohexylmethyl]-carbamic acid tert-butyl ester
1212451-43-8 [RN]
Benzoic acid, 4-(aminomethyl)- (9CI) [ACD/Index Name]
tert-butyl ({trans-4-[(1,1-dioxido-2,3-dihydrothiophen-3-yl)carbamoyl]cyclohexyl}methyl)carbamate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 638.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.3±3.0 kJ/mol
    Flash Point: 339.8±31.5 °C
    Index of Refraction: 1.541
    Molar Refractivity: 94.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.49
    ACD/LogD (pH 5.5): 1.21
    ACD/BCF (pH 5.5): 4.86
    ACD/KOC (pH 5.5): 107.91
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 4.86
    ACD/KOC (pH 7.4): 107.91
    Polar Surface Area: 110 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 48.9±5.0 dyne/cm
    Molar Volume: 301.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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