4-benzyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0869 |
| Compound Name: | 4-benzyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C22 H23 F N4 O2 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCN(CC2)C(c2cccc(c2)F)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3482 |
| logD: | 3.3481 |
| logSw: | -3.4804 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.745 |
| InChI Key: | CGKAAJSAOIOEIA-UHFFFAOYSA-N |