5-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0606 |
| Compound Name: | 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C21 H21 F N4 O2 |
| Smiles: | CN1C(N(C(C2CCN(CC2)C(c2ccccc2F)=O)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8479 |
| logD: | 2.8477 |
| logSw: | -3.3353 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.133 |
| InChI Key: | YCHBNJPVOIXYKV-UHFFFAOYSA-N |