2-methyl-4-phenyl-5-{1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-4-phenyl-5-{1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-4-phenyl-5-{1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0632 |
| Compound Name: | 2-methyl-4-phenyl-5-{1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C22 H21 F3 N4 O3 |
| Smiles: | CN1C(N(C(C2CCN(CC2)C(c2ccc(cc2)OC(F)(F)F)=O)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9036 |
| logD: | 3.9034 |
| logSw: | -3.9514 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.07 |
| InChI Key: | AYPPUCQHUNWFML-UHFFFAOYSA-N |