methyl 4-({5-(hydroxymethyl)-8-methyl-2-[(4-phenoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({5-(hydroxymethyl)-8-methyl-2-[(4-phenoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate
methyl 4-({5-(hydroxymethyl)-8-methyl-2-[(4-phenoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | K227-0437 |
| Compound Name: | methyl 4-({5-(hydroxymethyl)-8-methyl-2-[(4-phenoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate |
| Molecular Weight: | 535.56 |
| Molecular Formula: | C31 H25 N3 O6 |
| Smiles: | Cc1c2c(C=C(/C(=N/c3ccc(cc3)Oc3ccccc3)O2)C(Nc2ccc(cc2)C(=O)OC)=O)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.9351 |
| logD: | 4.9343 |
| logSw: | -4.4634 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.471 |
| InChI Key: | KBCXRDVSJKQCNJ-UHFFFAOYSA-N |