2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C200-4446 |
| Compound Name: | 2-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 563.74 |
| Molecular Formula: | C30 H33 N3 O4 S2 |
| Smiles: | COc1ccc(CCN2C(=Nc3ccsc3C2=O)SCC(N2CCC(CC2)Cc2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.2365 |
| logD: | 5.2365 |
| logSw: | -5.2111 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.15 |
| InChI Key: | WIWTUWKLAPEKMM-UHFFFAOYSA-N |