3-[(5-[(acetyloxy)methyl]-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene)amino]benzoic acid
Chemical Structure Depiction of
3-[(5-[(acetyloxy)methyl]-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene)amino]benzoic acid
3-[(5-[(acetyloxy)methyl]-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | K227-0477 |
| Compound Name: | 3-[(5-[(acetyloxy)methyl]-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene)amino]benzoic acid |
| Molecular Weight: | 529.51 |
| Molecular Formula: | C28 H23 N3 O8 |
| Smiles: | CC(=O)OCc1cnc(C)c2c1C=C(/C(=N/c1cccc(c1)C(O)=O)O2)C(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9238 |
| logD: | 0.7302 |
| logSw: | -4.2155 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.248 |
| InChI Key: | OMILBJNUGQLILA-UHFFFAOYSA-N |