4-ethyl-2-methyl-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-ethyl-2-methyl-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-ethyl-2-methyl-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0045 |
| Compound Name: | 4-ethyl-2-methyl-5-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 382.38 |
| Molecular Formula: | C18 H21 F3 N4 O2 |
| Smiles: | CCN1C(C2CCN(CC2)C(c2ccc(cc2)C(F)(F)F)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8802 |
| logD: | 2.8794 |
| logSw: | -2.8665 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.741 |
| InChI Key: | NSABNXIHQQHHQO-UHFFFAOYSA-N |