ChemSpider 2D Image | 2-({2-Oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}sulfanyl)-1,7-dihydro-6H-purin-6-one | C16H17N7O2S

2-({2-Oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}sulfanyl)-1,7-dihydro-6H-purin-6-one

  • Molecular FormulaC16H17N7O2S
  • Average mass371.417 Da
  • Monoisotopic mass371.116455 Da
  • ChemSpider ID22955510

More details:

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

2-({2-Oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}sulfanyl)-1,7-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-({2-Oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}sulfanyl)-1,7-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-({2-Oxo-2-[4-(2-pyridinyl)-1-pipérazinyl]éthyl}sulfanyl)-1,7-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
Ethanone, 2-[(6-hydroxy-9H-purin-2-yl)thio]-1-[4-(2-pyridinyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 801.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 438.3±37.1 °C
Index of Refraction: 1.767
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 110.9±5.0 dyne/cm
Molar Volume: 234.9±5.0 cm3

Click to predict properties on the Chemicalize site


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