{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | K263-0012 |
| Compound Name: | {[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C19 H13 N3 O S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c3ccccc3sc2C1=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.074 |
| logD: | 4.074 |
| logSw: | -4.1192 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.418 |
| InChI Key: | IAABSKCAOZSRQO-UHFFFAOYSA-N |