methyl 2-[2-(9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
methyl 2-[2-(9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F464-0121 |
| Compound Name: | methyl 2-[2-(9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C20 H14 F N3 O4 S |
| Smiles: | COC(c1ccccc1NC(CN1C=Nc2c3c(cccc3sc2C1=O)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0073 |
| logD: | 2.9967 |
| logSw: | -3.6575 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.459 |
| InChI Key: | YJCKKNJJLYGSDD-UHFFFAOYSA-N |