5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0122 |
| Compound Name: | 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | Cc1ccc(CN2C(C3CCN(CC3)C(c3cc(C)cc(C)c3)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4913 |
| logD: | 4.4907 |
| logSw: | -4.176 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.396 |
| InChI Key: | BRDGCILFGJXSAP-UHFFFAOYSA-N |