3-(1-benzylpiperidin-4-yl)-2-{[(2-chlorophenyl)methyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(1-benzylpiperidin-4-yl)-2-{[(2-chlorophenyl)methyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-(1-benzylpiperidin-4-yl)-2-{[(2-chlorophenyl)methyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0659 |
| Compound Name: | 3-(1-benzylpiperidin-4-yl)-2-{[(2-chlorophenyl)methyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 532.13 |
| Molecular Formula: | C29 H26 Cl N3 O S2 |
| Smiles: | C1CN(CCC1N1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1[Cl])Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0298 |
| logD: | 6.2963 |
| logSw: | -6.4317 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.0278 |
| InChI Key: | YZGLDRKJUPWRNV-UHFFFAOYSA-N |