ChemSpider 2D Image | 5-{5-[(2,4-Dimethyl-2-sulfanyl-1-piperazinyl)sulfonyl]-2-ethoxyphenyl}-1,4-dimethyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one | C24H34N6O4S2

5-{5-[(2,4-Dimethyl-2-sulfanyl-1-piperazinyl)sulfonyl]-2-ethoxyphenyl}-1,4-dimethyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

  • Molecular FormulaC24H34N6O4S2
  • Average mass534.695 Da
  • Monoisotopic mass534.208313 Da
  • ChemSpider ID67155550

More details:

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

5-{5-[(2,4-Dimethyl-2-sulfanyl-1-piperazinyl)sulfonyl]-2-ethoxyphenyl}-1,4-dimethyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
5-{5-[(2,4-Dimethyl-2-sulfanyl-1-piperazinyl)sulfonyl]-2-ethoxyphenyl}-1,4-dimethyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one [ACD/IUPAC Name]
5-{5-[(2,4-Diméthyl-2-sulfanyl-1-pipérazinyl)sulfonyl]-2-éthoxyphényl}-1,4-diméthyl-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-[2-ethoxy-5-[(2-mercapto-2,4-dimethyl-1-piperazinyl)sulfonyl]phenyl]-1,4-dihydro-1,4-dimethyl-3-propyl- [ACD/Index Name]
THIODIMETHYLSILDENAFIL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 704.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.9±35.7 °C
Index of Refraction: 1.658
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 46.14
ACD/KOC (pH 5.5): 510.57
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.10
ACD/KOC (pH 7.4): 609.68
Polar Surface Area: 148 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 389.9±7.0 cm3

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