3-phenyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-phenyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
3-phenyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8004-2166 |
| Compound Name: | 3-phenyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 314.43 |
| Molecular Formula: | C16 H14 N2 O S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(Nc1s2)=S)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6251 |
| logD: | 3.0016 |
| logSw: | -4.0978 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.5293 |
| InChI Key: | VVTUPMPBYOGHJF-UHFFFAOYSA-N |