2-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2243 |
| Compound Name: | 2-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 492.66 |
| Molecular Formula: | C27 H28 N2 O3 S2 |
| Smiles: | CCOc1cc(ccc1OCCSc1ccc(C)cc1)C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8682 |
| logD: | 5.8618 |
| logSw: | -5.4562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.157 |
| InChI Key: | POCAUNVOHIOCOQ-UHFFFAOYSA-N |