3-(2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
3-(2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
3-(2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | C683-0507 |
| Compound Name: | 3-(2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C26 H18 F N3 O4 S |
| Smiles: | C1c2ccccc2Oc2c1c(nc(c1ccc(cc1)F)n2)SCC(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8243 |
| logD: | 3.9385 |
| logSw: | -6.1615 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.688 |
| InChI Key: | KGOAMMKJVQZGLF-UHFFFAOYSA-N |