methyl 4-{[2-{[4-(ethoxycarbonyl)phenyl]imino}-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-{[4-(ethoxycarbonyl)phenyl]imino}-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl]amino}benzoate
methyl 4-{[2-{[4-(ethoxycarbonyl)phenyl]imino}-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K227-0426 |
| Compound Name: | methyl 4-{[2-{[4-(ethoxycarbonyl)phenyl]imino}-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 515.52 |
| Molecular Formula: | C28 H25 N3 O7 |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/C(=Cc2c(CO)cnc(C)c2O1)C(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8464 |
| logD: | 3.8456 |
| logSw: | -4.0569 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.478 |
| InChI Key: | OXHZVKBDURBRMK-UHFFFAOYSA-N |