4-(4-methylphenyl)-5-{1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-(4-methylphenyl)-5-{1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-(4-methylphenyl)-5-{1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2420 |
| Compound Name: | 4-(4-methylphenyl)-5-{1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 430.43 |
| Molecular Formula: | C22 H21 F3 N4 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(c2cccc(c2)C(F)(F)F)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.9507 |
| logD: | 3.9275 |
| logSw: | -3.9029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.784 |
| InChI Key: | SQJVDHRYCABDBD-UHFFFAOYSA-N |