(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile
Chemical Structure Depiction of
(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile
(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile
Compound characteristics
| Compound ID: | 8018-5642 |
| Compound Name: | (4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetonitrile |
| Molecular Weight: | 245.3 |
| Molecular Formula: | C12 H11 N3 O S |
| Smiles: | C1CCc2c(C1)c1C(N(CC#N)C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5345 |
| logD: | 1.5345 |
| logSw: | -1.8279 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.904 |
| InChI Key: | YFBBWGDBRDJOLR-UHFFFAOYSA-N |