[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl]{4-[(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]{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl]{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | S517-1554 |
| Compound Name: | [1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl]{4-[(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: | C1CN(CCC1Cc1nncn1Cc1ccccc1)C(C1CCN(CC1)S(c1cccc2c1non2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1139 |
| logD: | 3.1138 |
| logSw: | -3.2348 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 109.748 |
| InChI Key: | ZQDBKHXNITUZJV-UHFFFAOYSA-N |