methyl 4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]oxy}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]oxy}benzoate
methyl 4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]oxy}benzoate
Compound characteristics
| Compound ID: | 3909-8253 |
| Compound Name: | methyl 4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]oxy}benzoate |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H18 N2 O5 S |
| Smiles: | COC(c1ccc(cc1)OC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2546 |
| logD: | 3.2546 |
| logSw: | -3.716 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.39 |
| InChI Key: | OMLAGYBNLVTRSA-UHFFFAOYSA-N |