ChemSpider 2D Image | Sulfoaildenafil | C23H32N6O3S2

Sulfoaildenafil

  • Molecular FormulaC23H32N6O3S2
  • Average mass504.669 Da
  • Monoisotopic mass504.197723 Da
  • ChemSpider ID24751855
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

5-(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-ethoxyphenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-thion [German] [ACD/IUPAC Name]
5-(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-ethoxyphenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidine-7-thione [ACD/IUPAC Name]
5-(5-{[(3R,5S)-3,5-Diméthyl-1-pipérazinyl]sulfonyl}-2-éthoxyphényl)-1-méthyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidine-7-thione [French] [ACD/IUPAC Name]
7H-Pyrazolo[4,3-d]pyrimidine-7-thione, 5-[5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]sulfonyl]-2-ethoxyphenyl]-1,4-dihydro-1-methyl-3-propyl- [ACD/Index Name]
856190-47-1 [RN]
Sulfoaildenafil [Wiki]
Thioaildenafil
Thiomethisosildenafil
(3R,5S)-rel-1-[[3-(4,7-dihydro-1-methyl-3-propyl-7-thioxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-3,5-dimethyl-piperazine
5-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione

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

33DX49E09G [DBID]
UNII:33DX49E09G [DBID]
UNII-33DX49E09G [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 689.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.6±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 136.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.72
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 40.52
ACD/KOC (pH 7.4): 336.77
Polar Surface Area: 141 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 359.9±7.0 cm3

Click to predict properties on the Chemicalize site





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