ChemSpider 2D Image | 5-{4-[(3,4-Dimethoxyphenyl)sulfonyl]-1-piperazinyl}-6-ethyl-1,3-dimethyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one | C21H28N6O5S

5-{4-[(3,4-Dimethoxyphenyl)sulfonyl]-1-piperazinyl}-6-ethyl-1,3-dimethyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

  • Molecular FormulaC21H28N6O5S
  • Average mass476.549 Da
  • Monoisotopic mass476.184174 Da
  • ChemSpider ID21838709

More details:

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

5-{4-[(3,4-Dimethoxyphenyl)sulfonyl]-1-piperazinyl}-6-ethyl-1,3-dimethyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
5-{4-[(3,4-Dimethoxyphenyl)sulfonyl]-1-piperazinyl}-6-ethyl-1,3-dimethyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one [ACD/IUPAC Name]
5-{4-[(3,4-Diméthoxyphényl)sulfonyl]-1-pipérazinyl}-6-éthyl-1,3-diméthyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[4-[(3,4-dimethoxyphenyl)sulfonyl]-1-piperazinyl]-6-ethyl-1,6-dihydro-1,3-dimethyl- [ACD/Index Name]
5-[4-(3,4-dimethoxybenzenesulfonyl)piperazin-1-yl]-6-ethyl-1,3-dimethyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 666.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.7±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 123.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.67
ACD/KOC (pH 5.5): 88.29
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.67
ACD/KOC (pH 7.4): 88.29
Polar Surface Area: 118 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 335.1±7.0 cm3

Click to predict properties on the Chemicalize site


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