methyl {[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 {[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
methyl {[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: | 3089-0033 |
| Compound Name: | methyl {[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C20 H20 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0658 |
| logD: | 4.0658 |
| logSw: | -4.289 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.833 |
| InChI Key: | VWIPGSBRLLDKFI-UHFFFAOYSA-N |