2-(3-methylphenyl)-1-[2-(5-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenyl)-1-[2-(5-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]ethan-1-one
2-(3-methylphenyl)-1-[2-(5-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | M754-0717 |
| Compound Name: | 2-(3-methylphenyl)-1-[2-(5-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]ethan-1-one |
| Molecular Weight: | 298.39 |
| Molecular Formula: | C17 H22 N4 O |
| Smiles: | Cc1cccc(CC(N2CCCCC2c2nnc(C)[nH]2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.275 |
| logD: | 2.2709 |
| logSw: | -2.5931 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.451 |
| InChI Key: | OCNWKYXQVYURIN-HNNXBMFYSA-N |