methyl 4-[(5-[(acetyloxy)methyl]-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(5-[(acetyloxy)methyl]-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene)amino]benzoate
methyl 4-[(5-[(acetyloxy)methyl]-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene)amino]benzoate
Compound characteristics
| Compound ID: | K227-0546 |
| Compound Name: | methyl 4-[(5-[(acetyloxy)methyl]-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene)amino]benzoate |
| Molecular Weight: | 553.49 |
| Molecular Formula: | C28 H22 F3 N3 O6 |
| Smiles: | CC(=O)OCc1cnc(C)c2c1C=C(/C(=N/c1ccc(cc1)C(=O)OC)O2)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8499 |
| logD: | 4.8458 |
| logSw: | -4.6509 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.84 |
| InChI Key: | ZRBFWQXAYHTECR-UHFFFAOYSA-N |