4-benzyl-5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0871 |
| Compound Name: | 4-benzyl-5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C23 H25 F N4 O2 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCN(CC2)C(Cc2cccc(c2)F)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7566 |
| logD: | 3.7564 |
| logSw: | -3.9143 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.217 |
| InChI Key: | JVQNMZPHMMLFFM-UHFFFAOYSA-N |