4-phenyl-5-{1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-phenyl-5-{1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-phenyl-5-{1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2273 |
| Compound Name: | 4-phenyl-5-{1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 432.4 |
| Molecular Formula: | C21 H19 F3 N4 O3 |
| Smiles: | C1CN(CCC1C1=NNC(N1c1ccccc1)=O)C(c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8776 |
| logD: | 3.8543 |
| logSw: | -4.037 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.721 |
| InChI Key: | ROOJRPODMIXXBH-UHFFFAOYSA-N |