diethyl {[5-amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl](phenyl)methyl}propanedioate
Chemical Structure Depiction of
diethyl {[5-amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl](phenyl)methyl}propanedioate
diethyl {[5-amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl](phenyl)methyl}propanedioate
Compound characteristics
| Compound ID: | 8018-0969 |
| Compound Name: | diethyl {[5-amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl](phenyl)methyl}propanedioate |
| Molecular Weight: | 400.36 |
| Molecular Formula: | C17 H19 F3 N4 O4 |
| Smiles: | CCOC(C(C(c1ccccc1)n1c(N)nc(C(F)(F)F)n1)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7034 |
| logD: | 2.7034 |
| logSw: | -2.8554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.002 |
| InChI Key: | LLUQRTIFPUAYDP-GFCCVEGCSA-N |