5-[(4-fluoroanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-fluoroanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
5-[(4-fluoroanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2976 |
| Compound Name: | 5-[(4-fluoroanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 366.32 |
| Molecular Formula: | C17 H14 F4 N4 O |
| Smiles: | C(C1NN(Cc2cccc(c2)C(F)(F)F)C(N=1)=O)Nc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.3861 |
| logD: | 3.3861 |
| logSw: | -3.7172 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.139 |
| InChI Key: | LZAHWEUUKUSJRT-UHFFFAOYSA-N |