5-[(3-methoxyanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(3-methoxyanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[(3-methoxyanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-4654 |
| Compound Name: | 5-[(3-methoxyanilino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 378.35 |
| Molecular Formula: | C18 H17 F3 N4 O2 |
| Smiles: | COc1cccc(c1)NCC1NC(N(Cc2cccc(c2)C(F)(F)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7201 |
| logD: | 3.7088 |
| logSw: | -4.1538 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.185 |
| InChI Key: | WDMTVJXBUNISJY-UHFFFAOYSA-N |