ChemSpider 2D Image | 5-[(3,5-Dimethyl-1-piperidinyl)sulfonyl]-6-methyl-3-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}thieno[2,3-d]pyrimidin-4(3H)-one | C25H32N6O4S2

5-[(3,5-Dimethyl-1-piperidinyl)sulfonyl]-6-methyl-3-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}thieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC25H32N6O4S2
  • Average mass544.689 Da
  • Monoisotopic mass544.192627 Da
  • ChemSpider ID3657787

More details:

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

5-[(3,5-Dimethyl-1-piperidinyl)sulfonyl]-6-methyl-3-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}thieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
5-[(3,5-Dimethyl-1-piperidinyl)sulfonyl]-6-methyl-3-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
5-[(3,5-Diméthyl-1-pipéridinyl)sulfonyl]-6-méthyl-3-{2-oxo-2-[4-(2-pyridinyl)-1-pipérazinyl]éthyl}thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-6-methyl-3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]- [ACD/Index 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: 785.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 428.9±35.7 °C
Index of Refraction: 1.714
Molar Refractivity: 145.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 21.25
Polar Surface Area: 143 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 371.2±7.0 cm3

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