3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0087 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C18 H14 N2 O S2 |
| Smiles: | Cc1ccc(CN2C(c3c(c4ccccc4s3)NC2=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.427 |
| logD: | 4.4268 |
| logSw: | -4.2394 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.8127 |
| InChI Key: | RWXAWSKLYPODCN-UHFFFAOYSA-N |