3-[(2-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-[(2-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0103 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 358.87 |
| Molecular Formula: | C17 H11 Cl N2 O S2 |
| Smiles: | C(c1ccccc1[Cl])N1C(c2c(c3ccccc3s2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4875 |
| logD: | 4.4874 |
| logSw: | -4.4913 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.8127 |
| InChI Key: | ILNKMAOWJLHILA-UHFFFAOYSA-N |