methyl 4-({2-[(3-chloro-4-fluorophenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({2-[(3-chloro-4-fluorophenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate
methyl 4-({2-[(3-chloro-4-fluorophenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | K227-0419 |
| Compound Name: | methyl 4-({2-[(3-chloro-4-fluorophenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate |
| Molecular Weight: | 495.89 |
| Molecular Formula: | C25 H19 Cl F N3 O5 |
| Smiles: | Cc1c2c(C=C(/C(=N/c3ccc(c(c3)[Cl])F)O2)C(Nc2ccc(cc2)C(=O)OC)=O)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.0197 |
| logD: | 4.0189 |
| logSw: | -4.4344 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.724 |
| InChI Key: | DXYQPVUQTKKTPD-UHFFFAOYSA-N |