ChemSpider 2D Image | 5-(6-{[4-(2-Hydroxyethyl)-1-piperazinyl]sulfonyl}-3,4-dihydro-2H-chromen-8-yl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one | C24H32N6O5S

5-(6-{[4-(2-Hydroxyethyl)-1-piperazinyl]sulfonyl}-3,4-dihydro-2H-chromen-8-yl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

  • Molecular FormulaC24H32N6O5S
  • Average mass516.613 Da
  • Monoisotopic mass516.215515 Da
  • ChemSpider ID23304353

More details:

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

5-(6-{[4-(2-Hydroxyethyl)-1-piperazinyl]sulfonyl}-3,4-dihydro-2H-chromen-8-yl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
5-(6-{[4-(2-Hydroxyethyl)-1-piperazinyl]sulfonyl}-3,4-dihydro-2H-chromen-8-yl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one [ACD/IUPAC Name]
5-(6-{[4-(2-Hydroxyéthyl)-1-pipérazinyl]sulfonyl}-3,4-dihydro-2H-chromén-8-yl)-1-méthyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
5-(6-{[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl}-3,4-dihydro-2H-chromen-8-yl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[3,4-dihydro-6-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2H-1-benzopyran-8-yl]-1,6-dihydro-1-methyl-3-propyl- [ACD/Index Name]
5-(6-(4-(2-hydroxyethyl)piperazin-1-ylsulfonyl)-3,4-dihydro-2H-chromen-8-yl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL397076/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.20
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 9.65
ACD/KOC (pH 7.4): 166.59
Polar Surface Area: 138 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 342.0±7.0 cm3

Click to predict properties on the Chemicalize site


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