2-(3-methylphenyl)-1-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenyl)-1-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
2-(3-methylphenyl)-1-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | T501-0017 |
| Compound Name: | 2-(3-methylphenyl)-1-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 312.41 |
| Molecular Formula: | C18 H24 N4 O |
| Smiles: | Cc1cccc(CC(N2CCCC(Cc3nncn3C)C2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3174 |
| logD: | 2.3173 |
| logSw: | -2.5771 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.181 |
| InChI Key: | DTWVVLPRRWGFHY-MRXNPFEDSA-N |