ChemSpider 2D Image | 1-Cyclopentyl-4-[3-(difluoromethoxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione | C18H19F2N3O3S

1-Cyclopentyl-4-[3-(difluoromethoxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione

  • Molecular FormulaC18H19F2N3O3S
  • Average mass395.424 Da
  • Monoisotopic mass395.111511 Da
  • ChemSpider ID29344609

More details:

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

1-Cyclopentyl-4-[3-(difluormethoxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-3,7(2H,6H)-dion [German] [ACD/IUPAC Name]
1-Cyclopentyl-4-[3-(difluoromethoxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione [ACD/IUPAC Name]
1-Cyclopentyl-4-[3-(difluorométhoxy)phényl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazépine-3,7(2H,6H)-dione [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione, 1-cyclopentyl-4-[3-(difluoromethoxy)phenyl]-4,8-dihydro- [ACD/Index Name]
1436000-24-6 [RN]
1-cyclopentyl-4-[3-(difluoromethoxy)phenyl]-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.695
    Molar Refractivity: 96.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.46
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 35.85
    ACD/KOC (pH 5.5): 449.60
    ACD/LogD (pH 7.4): 2.33
    ACD/BCF (pH 7.4): 34.31
    ACD/KOC (pH 7.4): 430.35
    Polar Surface Area: 99 Å2
    Polarizability: 38.1±0.5 10-24cm3
    Surface Tension: 56.3±7.0 dyne/cm
    Molar Volume: 249.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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