[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Chemical Structure Depiction of
[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | T501-1487 |
| Compound Name: | [1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone |
| Molecular Weight: | 551.69 |
| Molecular Formula: | C26 H29 N7 O3 S2 |
| Smiles: | C1CC(Cc2nncn2c2ccccc2)CN(C1)C(C1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9735 |
| logD: | 2.9734 |
| logSw: | -3.3273 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.004 |
| InChI Key: | FADHXWMDKVFPTA-LJQANCHMSA-N |