4-(4-methylphenyl)-5-[1-(quinoline-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-(4-methylphenyl)-5-[1-(quinoline-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-(4-methylphenyl)-5-[1-(quinoline-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2384 |
| Compound Name: | 4-(4-methylphenyl)-5-[1-(quinoline-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C24 H23 N5 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(c2ccc3ccccc3n2)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.95 |
| logD: | 3.9268 |
| logSw: | -4.1692 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.115 |
| InChI Key: | YCBFKSUBYQLRRY-UHFFFAOYSA-N |