methyl 4-[2-(9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
methyl 4-[2-(9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F464-0510 |
| Compound Name: | methyl 4-[2-(9-fluoro-2-methyl-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 425.44 |
| Molecular Formula: | C21 H16 F N3 O4 S |
| Smiles: | CC1=Nc2c3c(cccc3sc2C(N1CC(Nc1ccc(cc1)C(=O)OC)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.7731 |
| logD: | 3.773 |
| logSw: | -4.2733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.203 |
| InChI Key: | BUBJNSXGWJJGPF-UHFFFAOYSA-N |