[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]{4-[(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]{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | S517-1181 |
| Compound Name: | [1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl]{4-[(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: | C1CN(CCC1Cc1nncn1c1ccccc1)C(C1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0651 |
| logD: | 3.0648 |
| logSw: | -3.2728 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.07 |
| InChI Key: | JUKFFARLXFYCSO-UHFFFAOYSA-N |