methyl {[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
methyl {[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3683-0057 |
| Compound Name: | methyl {[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 456.63 |
| Molecular Formula: | C24 H28 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCC(Cc1s2)C(C)(C)C)SCC(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.623 |
| logD: | 5.623 |
| logSw: | -5.4535 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.833 |
| InChI Key: | GRJUZZQNDHZGKZ-OAHLLOKOSA-N |