2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0373 |
| Compound Name: | 2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C26 H27 N3 O2 S2 |
| Smiles: | CC1CCN(CC1)C(CSC1=Nc2c3ccccc3sc2C(N1CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2301 |
| logD: | 5.2301 |
| logSw: | -5.3103 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.637 |
| InChI Key: | SCPAWQGIEWWPEX-UHFFFAOYSA-N |