2-[(3-chloro-4-fluorophenyl)imino]-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2H-pyrano[2,3-c]pyridine-3-carboxamide
Chemical Structure Depiction of
2-[(3-chloro-4-fluorophenyl)imino]-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2H-pyrano[2,3-c]pyridine-3-carboxamide
2-[(3-chloro-4-fluorophenyl)imino]-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2H-pyrano[2,3-c]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K227-0519 |
| Compound Name: | 2-[(3-chloro-4-fluorophenyl)imino]-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2H-pyrano[2,3-c]pyridine-3-carboxamide |
| Molecular Weight: | 505.86 |
| Molecular Formula: | C24 H16 Cl F4 N3 O3 |
| Smiles: | Cc1c2c(C=C(/C(=N/c3ccc(c(c3)[Cl])F)O2)C(Nc2cccc(c2)C(F)(F)F)=O)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.9722 |
| logD: | 4.9681 |
| logSw: | -5.0179 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.55 |
| InChI Key: | CHBYZLJRPQQTOE-UHFFFAOYSA-N |