ChemSpider 2D Image | PROPOXYPHENYL ISOBUTYL AILDENAFIL | C25H36N6O4S

PROPOXYPHENYL ISOBUTYL AILDENAFIL

  • Molecular FormulaC25H36N6O4S
  • Average mass516.656 Da
  • Monoisotopic mass516.251892 Da
  • ChemSpider ID52085044

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1621873-33-3 [RN]
5-(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-propoxyphenyl)-3-isobutyl-1-methyl-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)-3-isobutyl-1-methyl-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)-3-isobutyl-1-méthyl-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-(2-methylpropyl)- [ACD/Index Name]
PROPOXYPHENYL ISOBUTYL AILDENAFIL

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

13PRE1787L [DBID]
UNII:13PRE1787L [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: 694.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.1±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 138.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.45
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 38.68
ACD/KOC (pH 7.4): 324.03
Polar Surface Area: 126 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 379.7±7.0 cm3

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