2-{[(3-fluorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-fluorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(3-fluorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y205-6530 |
| Compound Name: | 2-{[(3-fluorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 346.44 |
| Molecular Formula: | C17 H15 F N2 O S2 |
| Smiles: | C1CCc2c(C1)c1C(NC(=Nc1s2)SCc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.314 |
| logD: | 4.2985 |
| logSw: | -4.5326 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.324 |
| InChI Key: | XJHKTEIWIAEJPM-UHFFFAOYSA-N |