ChemSpider 2D Image | PROPOXYPHENYL AILDENAFIL | C24H34N6O4S

PROPOXYPHENYL AILDENAFIL

  • Molecular FormulaC24H34N6O4S
  • Average mass502.630 Da
  • Monoisotopic mass502.236237 Da
  • ChemSpider ID48057981

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1391053-82-9 [RN]
5-(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-propoxyphenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
5-(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-propoxyphenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one [ACD/IUPAC Name]
5-(5-{[(3R,5S)-3,5-Diméthyl-1-pipérazinyl]sulfonyl}-2-propoxyphényl)-1-méthyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1,4-dihydro-1-methyl-3-propyl- [ACD/Index Name]
PROPOXYPHENYL AILDENAFIL
5-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
5-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
Aildenafil-propoxyphenyl
O-Desethyl-O-propyl Methisosildenafil

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

9ZDR4HWG5E [DBID]
UNII:9ZDR4HWG5E [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 692.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.5±3.0 kJ/mol
    Flash Point: 372.6±34.3 °C
    Index of Refraction: 1.657
    Molar Refractivity: 134.2±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 3.39
    ACD/LogD (pH 5.5): 0.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.62
    ACD/LogD (pH 7.4): 2.31
    ACD/BCF (pH 7.4): 24.25
    ACD/KOC (pH 7.4): 232.02
    Polar Surface Area: 126 Å2
    Polarizability: 53.2±0.5 10-24cm3
    Surface Tension: 51.7±7.0 dyne/cm
    Molar Volume: 364.6±7.0 cm3

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