ChemSpider 2D Image | Roflumilast-d4 | C17H10D4Cl2F2N2O3

Roflumilast-d4

  • Molecular FormulaC17H10D4Cl2F2N2O3
  • Average mass407.232 Da
  • Monoisotopic mass406.060059 Da
  • ChemSpider ID28295634

  • Non-standard isotope - Non-standard isotope

More details:

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

1398065-69-4 [RN]
3-[(2,2,3,3-2H4)Cyclopropylmethoxy]-N-(3,5-dichlor-4-pyridinyl)-4-(difluormethoxy)benzamid [German] [ACD/IUPAC Name]
3-[(2,2,3,3-2H4)Cyclopropylmethoxy]-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide [ACD/IUPAC Name]
3-[(2,2,3,3-2H4)Cyclopropylméthoxy]-N-(3,5-dichloro-4-pyridinyl)-4-(difluorométhoxy)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-(cyclopropyl-2,2,3,3-d4-methoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)- [ACD/Index Name]
Roflumilast-d4
3-((cyclopropyl-2,2,3,3-d4)methoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
3-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide [ACD/IUPAC Name]
N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]benzamide
Roflumilast-d4 (cyclopropyl-2,2,3,3-d4)

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 430.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.6±3.0 kJ/mol
    Flash Point: 214.2±28.7 °C
    Index of Refraction: 1.604
    Molar Refractivity: 94.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.84
    ACD/LogD (pH 5.5): 4.06
    ACD/BCF (pH 5.5): 714.40
    ACD/KOC (pH 5.5): 3840.99
    ACD/LogD (pH 7.4): 4.05
    ACD/BCF (pH 7.4): 710.27
    ACD/KOC (pH 7.4): 3818.80
    Polar Surface Area: 60 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 51.8±3.0 dyne/cm
    Molar Volume: 274.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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