3-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y512-6905 |
| Compound Name: | 3-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C18 H18 N2 O S2 |
| Smiles: | C1CCc2c(C1)c1C(N(CCc3ccccc3)C(=Nc1s2)S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.25 |
| logD: | 0.6676 |
| logSw: | -4.461 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.35 |
| InChI Key: | KQPHWEGXEURWBX-UHFFFAOYSA-N |