ChemSpider 2D Image | 6-Methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-3-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-4a,5,6,7a-tetrahydrothieno[2,3-d]pyrimidin-4(3H)-one | C24H34N6O4S2

6-Methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-3-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-4a,5,6,7a-tetrahydrothieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC24H34N6O4S2
  • Average mass534.695 Da
  • Monoisotopic mass534.208313 Da
  • ChemSpider ID113637388

More details:

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

6-Methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-3-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-4a,5,6,7a-tetrahydrothieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
6-Methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-3-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-4a,5,6,7a-tetrahydrothieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
6-Méthyl-5-[(4-méthyl-1-pipéridinyl)sulfonyl]-3-{2-oxo-2-[4-(2-pyridinyl)-1-pipérazinyl]éthyl}-4a,5,6,7a-tétrahydrothiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 4a,5,6,7a-tetrahydro-6-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-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: 754.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.3±35.7 °C
Index of Refraction: 1.724
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.95
Polar Surface Area: 140 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 356.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement