[1-(2,1,3-benzothiadiazole-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-benzothiadiazole-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-benzothiadiazole-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: | S517-1369 |
| Compound Name: | [1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl](4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C23 H31 N7 O3 S2 |
| Smiles: | CC(C)n1cnnc1CC1CCN(CC1)C(C1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4607 |
| logD: | 2.4479 |
| logSw: | -2.5524 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.674 |
| InChI Key: | QKFJJDNAKQMLII-UHFFFAOYSA-N |