methyl 4-{[5-(hydroxymethyl)-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-(hydroxymethyl)-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
methyl 4-{[5-(hydroxymethyl)-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
Compound characteristics
| Compound ID: | K227-0535 |
| Compound Name: | methyl 4-{[5-(hydroxymethyl)-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate |
| Molecular Weight: | 511.46 |
| Molecular Formula: | C26 H20 F3 N3 O5 |
| Smiles: | Cc1c2c(C=C(/C(=N/c3ccc(cc3)C(=O)OC)O2)C(Nc2cccc(c2)C(F)(F)F)=O)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.2882 |
| logD: | 4.2842 |
| logSw: | -4.3852 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.724 |
| InChI Key: | WFFJFXLYNRKWSX-UHFFFAOYSA-N |