ChemSpider 2D Image | Nitrosoprodenafil | C27H35N9O5S2

Nitrosoprodenafil

  • Molecular FormulaC27H35N9O5S2
  • Average mass629.754 Da
  • Monoisotopic mass629.220276 Da
  • ChemSpider ID32701496
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1266755-08-1 [RN]
2-{[5-(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy}-N-methyl-N-nitroso-1,3-thiazol-5-amin [German] [ACD/IUPAC Name]
2-{[5-(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy}-N-methyl-N-nitroso-1,3-thiazol-5-amine [ACD/IUPAC Name]
2-{[5-(5-{[(3R,5S)-3,5-Diméthyl-1-pipérazinyl]sulfonyl}-2-éthoxyphényl)-1-méthyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy}-N-méthyl-N-nitroso-1,3-thiazol-5-amine [French] [ACD/IUPAC Name]
5-Thiazolamine, 2-[[5-[5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]sulfonyl]-2-ethoxyphenyl]-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-N-methyl-N-nitroso- [ACD/Index Name]
Nitrosoprodenafil [Wiki]
X8TO9P16G7
UNII:X8TO9P16G7
UNII-X8TO9P16G7

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 164.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 11.24
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 83.14
ACD/KOC (pH 7.4): 563.22
Polar Surface Area: 194 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 424.2±7.0 cm3

Click to predict properties on the Chemicalize site





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