2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(3-methoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(3-methoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(3-methoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0457 |
| Compound Name: | 2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(3-methoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 459.63 |
| Molecular Formula: | C23 H29 N3 O3 S2 |
| Smiles: | CC1CC(C)CN(C1)C(CSC1=Nc2c3ccccc3sc2C(N1CCCOC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3081 |
| logD: | 4.3081 |
| logSw: | -4.1548 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.118 |
| InChI Key: | PYVLKEBFWQBFFX-UHFFFAOYSA-N |