ChemSpider 2D Image | 8-{2-Ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-3-isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione | C23H32N6O5S

8-{2-Ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-3-isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC23H32N6O5S
  • Average mass504.602 Da
  • Monoisotopic mass504.215485 Da
  • ChemSpider ID23176066

More details:

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

1H-Purine-2,6-dione, 8-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3,9-dihydro-1-methyl-3-(2-methylpropyl)- [ACD/Index Name]
8-{2-Ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-3-isobutyl-1-methyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-{2-Ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-3-isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-{2-Éthoxy-5-[(4-méthyl-1-pipérazinyl)sulfonyl]phényl}-3-isobutyl-1-méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-(2-methylpropyl)-3,9-dihydro-1H-purine-2,6-dione
8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phenyl]-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione
CHEMBL85350

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.2±35.7 °C
Index of Refraction: 1.590
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 26.86
ACD/KOC (pH 5.5): 239.44
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 75.55
ACD/KOC (pH 7.4): 673.56
Polar Surface Area: 128 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 386.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement