{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile
{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | 3448-0692 |
| Compound Name: | {[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C19 H17 N3 O S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCCc1s2)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.0343 |
| logD: | 4.0343 |
| logSw: | -4.2113 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.746 |
| InChI Key: | UEDFWPHUTWZFSP-UHFFFAOYSA-N |