ChemSpider 2D Image | 2-{[1-(7-Methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one | C23H24N4O2S3

2-{[1-(7-Methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC23H24N4O2S3
  • Average mass484.657 Da
  • Monoisotopic mass484.106140 Da
  • ChemSpider ID21775073

More details:

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

[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[1-[(3,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]ethyl]-5,6,7,8-tetrahydro-7-methyl- [ACD/Index Name]
2-{[1-(7-Methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
2-{[1-(7-Methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
2-{[1-(7-Méthyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl)éthyl]sulfanyl}-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.870
Molar Refractivity: 130.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3188.62
ACD/KOC (pH 5.5): 11206.14
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3171.65
ACD/KOC (pH 7.4): 11146.50
Polar Surface Area: 165 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 72.9±7.0 dyne/cm
Molar Volume: 286.6±7.0 cm3

Click to predict properties on the Chemicalize site


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