[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]{4-[(4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | S517-1463 |
| Compound Name: | [1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone |
| Molecular Weight: | 503.64 |
| Molecular Formula: | C22 H29 N7 O3 S2 |
| Smiles: | CCn1cnnc1CC1CCN(CC1)C(C1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8661 |
| logD: | 1.8621 |
| logSw: | -2.3427 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.608 |
| InChI Key: | WXOIEDRWYAYAEW-UHFFFAOYSA-N |