ChemSpider 2D Image | 2-{[2-(2,6-Dimethyl-4-morpholinyl)-2-oxoethyl]sulfanyl}-3-(2,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one | C27H33N3O3S2

2-{[2-(2,6-Dimethyl-4-morpholinyl)-2-oxoethyl]sulfanyl}-3-(2,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC27H33N3O3S2
  • Average mass511.699 Da
  • Monoisotopic mass511.196320 Da
  • ChemSpider ID3806798

More details:

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

[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl]thio]-3-(2,5-dimethylphenyl)-5,6,7,8-tetrahydro-7-methyl- [ACD/Index Name]
2-{[2-(2,6-Dimethyl-4-morpholinyl)-2-oxoethyl]sulfanyl}-3-(2,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
2-{[2-(2,6-Dimethyl-4-morpholinyl)-2-oxoethyl]sulfanyl}-3-(2,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-{[2-(2,6-Diméthyl-4-morpholinyl)-2-oxoéthyl]sulfanyl}-3-(2,5-diméthylphényl)-7-méthyl-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 712.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.9±35.7 °C
Index of Refraction: 1.685
Molar Refractivity: 143.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11606.46
ACD/KOC (pH 5.5): 28255.33
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11606.50
ACD/KOC (pH 7.4): 28255.42
Polar Surface Area: 116 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 376.2±7.0 cm3

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