[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl](4-{[4-(propan-2-yl)-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-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl](4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | S517-1366 |
| Compound Name: | [1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl](4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone |
| Molecular Weight: | 501.61 |
| Molecular Formula: | C23 H31 N7 O4 S |
| Smiles: | CC(C)n1cnnc1CC1CCN(CC1)C(C1CCN(CC1)S(c1cccc2c1non2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4846 |
| logD: | 2.4717 |
| logSw: | -2.5691 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 110.811 |
| InChI Key: | NBSPNLPRIBKBHR-UHFFFAOYSA-N |