4-phenyl-5-(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-phenyl-5-(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
4-phenyl-5-(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2260 |
| Compound Name: | 4-phenyl-5-(1-{[4-(trifluoromethoxy)phenyl]acetyl}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: | C1CN(CCC1C1=NNC(N1c1ccccc1)=O)C(Cc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1569 |
| logD: | 4.1337 |
| logSw: | -4.2737 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.193 |
| InChI Key: | IYBLVACYQXHNDJ-UHFFFAOYSA-N |