2-methyl-4-phenyl-5-{1-[4-(trifluoromethyl)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-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-4-phenyl-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0626 |
| Compound Name: | 2-methyl-4-phenyl-5-{1-[4-(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: | CN1C(N(C(C2CCN(CC2)C(c2ccc(cc2)C(F)(F)F)=O)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5851 |
| logD: | 3.5849 |
| logSw: | -3.5385 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.133 |
| InChI Key: | HZGCBUBHBSBLBX-UHFFFAOYSA-N |