ChemSpider 2D Image | N-(3-Methylbutyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C15H27N3O2S

N-(3-Methylbutyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

  • Molecular FormulaC15H27N3O2S
  • Average mass313.459 Da
  • Monoisotopic mass313.182404 Da
  • ChemSpider ID29767401

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-N-(3-methylbutyl)-2-oxo-, (3aS,4S,6aR)- [ACD/Index Name]
N-(3-Methylbutyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
N-(3-Methylbutyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-(3-Méthylbutyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanamide [French] [ACD/IUPAC Name]
1246070-52-9 [RN]
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(3-methylbutyl)pentanamide

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 596.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.8±3.0 kJ/mol
    Flash Point: 314.4±25.9 °C
    Index of Refraction: 1.512
    Molar Refractivity: 86.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 1.29
    ACD/LogD (pH 5.5): 2.18
    ACD/BCF (pH 5.5): 26.62
    ACD/KOC (pH 5.5): 364.57
    ACD/LogD (pH 7.4): 2.18
    ACD/BCF (pH 7.4): 26.62
    ACD/KOC (pH 7.4): 364.57
    Polar Surface Area: 96 Å2
    Polarizability: 34.1±0.5 10-24cm3
    Surface Tension: 37.8±3.0 dyne/cm
    Molar Volume: 286.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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