2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4112-3848 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C25 H22 N2 O3 S2 |
| Smiles: | CC1CCc2c3C(N(C(=Nc3sc2C1)SCc1ccc2c(c1)OCO2)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.808 |
| logD: | 5.808 |
| logSw: | -5.5675 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.098 |
| InChI Key: | CXEPPOIGXPSWEA-OAHLLOKOSA-N |