methyl 4-{[5-(hydroxymethyl)-8-methyl-2-{[4-(trifluoromethyl)phenyl]imino}-2H-pyrano[2,3-c]pyridine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-(hydroxymethyl)-8-methyl-2-{[4-(trifluoromethyl)phenyl]imino}-2H-pyrano[2,3-c]pyridine-3-carbonyl]amino}benzoate
methyl 4-{[5-(hydroxymethyl)-8-methyl-2-{[4-(trifluoromethyl)phenyl]imino}-2H-pyrano[2,3-c]pyridine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K227-0424 |
| Compound Name: | methyl 4-{[5-(hydroxymethyl)-8-methyl-2-{[4-(trifluoromethyl)phenyl]imino}-2H-pyrano[2,3-c]pyridine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 511.46 |
| Molecular Formula: | C26 H20 F3 N3 O5 |
| Smiles: | Cc1c2c(C=C(/C(=N/c3ccc(cc3)C(F)(F)F)O2)C(Nc2ccc(cc2)C(=O)OC)=O)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.1177 |
| logD: | 4.1169 |
| logSw: | -4.2328 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.724 |
| InChI Key: | SCGXAXLHIMMHAG-UHFFFAOYSA-N |