5-[1-(4-ethylbenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(4-ethylbenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(4-ethylbenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-0123 |
| Compound Name: | 5-[1-(4-ethylbenzoyl)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: | CCc1ccc(cc1)C(N1CCC(CC1)C1=NNC(N1Cc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6376 |
| logD: | 4.637 |
| logSw: | -4.1607 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.396 |
| InChI Key: | SMLHTGQLUXWOPG-UHFFFAOYSA-N |