3-(3,3-diethoxypropyl)-2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(3,3-diethoxypropyl)-2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-(3,3-diethoxypropyl)-2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0740 |
| Compound Name: | 3-(3,3-diethoxypropyl)-2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 378.51 |
| Molecular Formula: | C18 H22 N2 O3 S2 |
| Smiles: | CCOC(CCN1C(=Nc2c3ccccc3sc2C1=O)SC)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.609 |
| logD: | 3.609 |
| logSw: | -3.645 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.441 |
| InChI Key: | MHPWWDGYILEAIN-UHFFFAOYSA-N |