4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonyl}-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonyl}-2,1,3-benzothiadiazole
4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonyl}-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | S517-0338 |
| Compound Name: | 4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonyl}-2,1,3-benzothiadiazole |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C20 H20 N6 O2 S2 |
| Smiles: | C1CN(CCC1Cc1nncn1c1ccccc1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1477 |
| logD: | 3.1476 |
| logSw: | -3.3272 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.422 |
| InChI Key: | TXAXHWYTFDNSFL-UHFFFAOYSA-N |