3-(2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
3-(2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
3-(2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | C683-0548 |
| Compound Name: | 3-(2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C27 H21 N3 O4 S |
| Smiles: | Cc1ccc(cc1)c1nc2c(Cc3ccccc3O2)c(n1)SCC(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2186 |
| logD: | 4.3328 |
| logSw: | -5.6637 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.688 |
| InChI Key: | FDTQMVHFUGAGNZ-UHFFFAOYSA-N |