2-[4-(methylsulfanyl)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-[4-(methylsulfanyl)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
2-[4-(methylsulfanyl)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 3161-0556 |
| Compound Name: | 2-[4-(methylsulfanyl)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 330.47 |
| Molecular Formula: | C17 H18 N2 O S2 |
| Smiles: | CSc1ccc(cc1)C1NC(c2c3CCCCc3sc2N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9571 |
| logD: | 3.9571 |
| logSw: | -4.314 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.2 |
| InChI Key: | OMAVCDVBFOGLHH-OAHLLOKOSA-N |