5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2229 |
| Compound Name: | 5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C22 H24 N4 O2 |
| Smiles: | Cc1cccc(CC(N2CCC(CC2)C2=NNC(N2c2ccccc2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6578 |
| logD: | 3.6345 |
| logSw: | -3.7418 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.257 |
| InChI Key: | WIXWSEBITINUDU-UHFFFAOYSA-N |