methyl [(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
methyl [(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 4469-0535 |
| Compound Name: | methyl [(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C19 H18 N2 O3 S2 |
| Smiles: | COC(CSC1=Nc2c(C(N1c1ccccc1)=O)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5208 |
| logD: | 3.5208 |
| logSw: | -3.9358 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.833 |
| InChI Key: | YXLOZCWTSPFYPT-UHFFFAOYSA-N |