ethyl 4-(4-{3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}anilino)-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-(4-{3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}anilino)-4-oxobutanoate
ethyl 4-(4-{3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}anilino)-4-oxobutanoate
Compound characteristics
| Compound ID: | V008-0586 |
| Compound Name: | ethyl 4-(4-{3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}anilino)-4-oxobutanoate |
| Molecular Weight: | 520.51 |
| Molecular Formula: | C25 H27 F3 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccc(cc2)C(F)(F)F)n(c2ccc(cc2)NC(CCC(=O)OCC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5151 |
| logD: | 4.5151 |
| logSw: | -4.2424 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.393 |
| InChI Key: | CTYBLBQXELMUDO-UHFFFAOYSA-N |