4-[(4-fluorophenyl)methyl]-5-{1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-5-{1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[(4-fluorophenyl)methyl]-5-{1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1024 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-5-{1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 448.42 |
| Molecular Formula: | C22 H20 F4 N4 O2 |
| Smiles: | C1CN(CCC1C1=NNC(N1Cc1ccc(cc1)F)=O)C(c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.032 |
| logD: | 4.0314 |
| logSw: | -4.1598 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.396 |
| InChI Key: | KFCQWSRLRGEHFN-UHFFFAOYSA-N |