3-{[5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoic acid
Chemical Structure Depiction of
3-{[5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoic acid
3-{[5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoic acid
Compound characteristics
| Compound ID: | K227-0434 |
| Compound Name: | 3-{[5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoic acid |
| Molecular Weight: | 487.47 |
| Molecular Formula: | C26 H21 N3 O7 |
| Smiles: | Cc1c2c(C=C(/C(=N/c3cccc(c3)C(O)=O)O2)C(Nc2ccc(cc2)C(=O)OC)=O)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 3.3621 |
| logD: | 0.1685 |
| logSw: | -3.6252 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.132 |
| InChI Key: | QWSXTUFESFZYQW-UHFFFAOYSA-N |