ChemSpider 2D Image | TADALAFIL DIOXOLONE | C22H17N3O5

TADALAFIL DIOXOLONE

  • Molecular FormulaC22H17N3O5
  • Average mass403.388 Da
  • Monoisotopic mass403.116821 Da
  • ChemSpider ID48062530

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,12aR)-2-Methyl-6-(2-oxo-1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-1,4-dion [German] [ACD/IUPAC Name]
(6R,12aR)-2-Methyl-6-(2-oxo-1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [ACD/IUPAC Name]
(6R,12aR)-2-Méthyl-6-(2-oxo-1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [French] [ACD/IUPAC Name]
1346602-17-2 [RN]
Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 2,3,6,7,12,12a-hexahydro-2-methyl-6-(2-oxo-1,3-benzodioxol-5-yl)-, (6R,12aR)- [ACD/Index Name]
TADALAFIL DIOXOLONE
2�?Oxo Tadalafil

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

22EM4VLK5D [DBID]
UNII:22EM4VLK5D [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 689.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.1±3.0 kJ/mol
    Flash Point: 371.0±31.5 °C
    Index of Refraction: 1.772
    Molar Refractivity: 105.4±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.67
    ACD/KOC (pH 5.5): 202.05
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.67
    ACD/KOC (pH 7.4): 202.05
    Polar Surface Area: 92 Å2
    Polarizability: 41.8±0.5 10-24cm3
    Surface Tension: 88.0±5.0 dyne/cm
    Molar Volume: 253.1±5.0 cm3

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