3-benzyl-7-tert-butyl-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-7-tert-butyl-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-benzyl-7-tert-butyl-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3683-0412 |
| Compound Name: | 3-benzyl-7-tert-butyl-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 398.59 |
| Molecular Formula: | C22 H26 N2 O S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(Cc4ccccc4)C(=Nc3sc2C1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1275 |
| logD: | 6.1275 |
| logSw: | -5.5022 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8655 |
| InChI Key: | QHHBIEMYRBISCD-OAHLLOKOSA-N |