4-benzyl-2-methyl-5-[1-(pyridine-4-carbonyl)piperidin-3-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-2-methyl-5-[1-(pyridine-4-carbonyl)piperidin-3-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-2-methyl-5-[1-(pyridine-4-carbonyl)piperidin-3-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | P940-4177 |
| Compound Name: | 4-benzyl-2-methyl-5-[1-(pyridine-4-carbonyl)piperidin-3-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C21 H23 N5 O2 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCCN(C2)C(c2ccncc2)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0966 |
| logD: | 2.0942 |
| logSw: | -2.0009 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.106 |
| InChI Key: | XSZDXOOKYUSCRG-SFHVURJKSA-N |