methyl 2-(2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K292-0578 |
| Compound Name: | methyl 2-(2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 469.51 |
| Molecular Formula: | C22 H16 F N3 O4 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6647 |
| logD: | 3.6579 |
| logSw: | -4.0257 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.803 |
| InChI Key: | HFWSKFZDFNCYDP-UHFFFAOYSA-N |