2-methyl-5-[1-(3-methylbutanoyl)piperidin-3-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-[1-(3-methylbutanoyl)piperidin-3-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(3-methylbutanoyl)piperidin-3-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | P940-4602 |
| Compound Name: | 2-methyl-5-[1-(3-methylbutanoyl)piperidin-3-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 342.44 |
| Molecular Formula: | C19 H26 N4 O2 |
| Smiles: | CC(C)CC(N1CCCC(C1)C1=NN(C)C(N1c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7409 |
| logD: | 2.7408 |
| logSw: | -2.8815 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.811 |
| InChI Key: | WJGKGIMQUALYBT-HNNXBMFYSA-N |