ChemSpider 2D Image | MUTAPRODENAFIL | C27H35N9O5S2

MUTAPRODENAFIL

  • Molecular FormulaC27H35N9O5S2
  • Average mass629.754 Da
  • Monoisotopic mass629.220276 Da
  • ChemSpider ID32697529

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1387577-30-1 [RN]
1H-Pyrazolo[4,3-d]pyrimidine, 5-[5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]sulfonyl]-2-ethoxyphenyl]-1-methyl-7-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-3-propyl- [ACD/Index Name]
5-(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-ethoxyphenyl)-1-methyl-7-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-3-propyl-1H-pyrazolo[4,3-d]pyrimidin [German] [ACD/IUPAC Name]
5-(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-ethoxyphenyl)-1-methyl-7-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-3-propyl-1H-pyrazolo[4,3-d]pyrimidine [ACD/IUPAC Name]
5-(5-{[(3R,5S)-3,5-Diméthyl-1-pipérazinyl]sulfonyl}-2-éthoxyphényl)-1-méthyl-7-[(1-méthyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-3-propyl-1H-pyrazolo[4,3-d]pyrimidine [French] [ACD/IUPAC Name]
MUTAPRODENAFIL
5-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-7-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-3-propylpyrazolo[4,3-d]pyrimidine

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

0KBR3VF526 [DBID]
UNII:0KBR3VF526 [DBID]
UNII-0KBR3VF526 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.712
    Molar Refractivity: 164.9±0.5 cm3
    #H bond acceptors: 14
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 4.66
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 1.19
    ACD/KOC (pH 5.5): 8.87
    ACD/LogD (pH 7.4): 2.82
    ACD/BCF (pH 7.4): 59.68
    ACD/KOC (pH 7.4): 444.36
    Polar Surface Area: 200 Å2
    Polarizability: 65.4±0.5 10-24cm3
    Surface Tension: 60.5±7.0 dyne/cm
    Molar Volume: 421.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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