ChemSpider 2D Image | 7-(2-{[2-Methoxy-5-(1-piperidinylsulfonyl)phenyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C21H28N6O5S

7-(2-{[2-Methoxy-5-(1-piperidinylsulfonyl)phenyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC21H28N6O5S
  • Average mass476.549 Da
  • Monoisotopic mass476.184174 Da
  • ChemSpider ID24106538

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]amino]ethyl]-1,3-dimethyl- [ACD/Index Name]
7-(2-{[2-Methoxy-5-(1-piperidinylsulfonyl)phenyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-(2-{[2-Methoxy-5-(1-piperidinylsulfonyl)phenyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-(2-{[2-Méthoxy-5-(1-pipéridinylsulfonyl)phényl]amino}éthyl)-1,3-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 731.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 396.0±35.7 °C
Index of Refraction: 1.677
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.28
ACD/KOC (pH 5.5): 407.65
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.71
ACD/KOC (pH 7.4): 413.21
Polar Surface Area: 125 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 327.6±7.0 cm3

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