4-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0042 |
| Compound Name: | 4-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C17 H21 F N4 O2 |
| Smiles: | CCN1C(C2CCN(CC2)C(c2cccc(c2)F)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.0462 |
| logD: | 2.0453 |
| logSw: | -2.2714 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.741 |
| InChI Key: | VVVMRMYZDKMQTE-UHFFFAOYSA-N |