methyl 2-[2-(4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
methyl 2-[2-(4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F464-0022 |
| Compound Name: | methyl 2-[2-(4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C20 H15 N3 O4 S |
| Smiles: | COC(c1ccccc1NC(CN1C=Nc2c3ccccc3sc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8569 |
| logD: | 2.8462 |
| logSw: | -3.3559 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.459 |
| InChI Key: | JXNJZZCGPDREIT-UHFFFAOYSA-N |