ethyl 4-{[5-(hydroxymethyl)-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[5-(hydroxymethyl)-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
ethyl 4-{[5-(hydroxymethyl)-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
Compound characteristics
| Compound ID: | K227-0522 |
| Compound Name: | ethyl 4-{[5-(hydroxymethyl)-8-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate |
| Molecular Weight: | 525.48 |
| Molecular Formula: | C27 H22 F3 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/C(=Cc2c(CO)cnc(C)c2O1)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7989 |
| logD: | 4.7948 |
| logSw: | -4.4776 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.304 |
| InChI Key: | SOYIXLMXLVMKFK-UHFFFAOYSA-N |