3-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0003 |
| Compound Name: | 3-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C17 H12 N2 O S2 |
| Smiles: | Cc1ccc(cc1)N1C(c2c(c3ccccc3s2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9513 |
| logD: | 3.9487 |
| logSw: | -3.9856 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.2012 |
| InChI Key: | BVUVAHFVSDTXSJ-UHFFFAOYSA-N |