5-[(3-chloroanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(3-chloroanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[(3-chloroanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-3061 |
| Compound Name: | 5-[(3-chloroanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 382.77 |
| Molecular Formula: | C17 H14 Cl F3 N4 O |
| Smiles: | C(C1NC(N(Cc2cccc(c2)C(F)(F)F)N=1)=O)Nc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4072 |
| logD: | 4.3959 |
| logSw: | -4.5813 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.641 |
| InChI Key: | BBVVCRMDJCBLIJ-UHFFFAOYSA-N |