[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl]{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Chemical Structure Depiction of
[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl]{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl]{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | T501-1404 |
| Compound Name: | [1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl]{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone |
| Molecular Weight: | 549.65 |
| Molecular Formula: | C27 H31 N7 O4 S |
| Smiles: | C1CC(Cc2nncn2Cc2ccccc2)CN(C1)C(C1CCN(CC1)S(c1cccc2c1non2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0223 |
| logD: | 3.0223 |
| logSw: | -3.3133 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 109.682 |
| InChI Key: | IPNDJQJMEXMOBW-OAQYLSRUSA-N |