methyl 4-[2-(2-ethyl-9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2-ethyl-9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
methyl 4-[2-(2-ethyl-9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F464-0710 |
| Compound Name: | methyl 4-[2-(2-ethyl-9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 439.46 |
| Molecular Formula: | C22 H18 F N3 O4 S |
| Smiles: | CCC1=Nc2c3c(cccc3sc2C(N1CC(Nc1ccc(cc1)C(=O)OC)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.1097 |
| logD: | 4.1096 |
| logSw: | -4.4408 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.295 |
| InChI Key: | MDUDFXLABANXNH-UHFFFAOYSA-N |