{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
{[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | K263-0417 |
| Compound Name: | {[4-oxo-3-(2-phenylethyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 377.49 |
| Molecular Formula: | C20 H15 N3 O S2 |
| Smiles: | C(CN1C(=Nc2c3ccccc3sc2C1=O)SCC#N)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2254 |
| logD: | 4.2254 |
| logSw: | -4.3392 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.007 |
| InChI Key: | WWSJSEHAZXMPKV-UHFFFAOYSA-N |