2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y205-6485 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]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: | Cc1cccc(CSC2NC(c3c4CCCCc4sc3N=2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8384 |
| logD: | 4.8229 |
| logSw: | -4.7063 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.324 |
| InChI Key: | JOABTCGOQAMQRY-UHFFFAOYSA-N |