N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-difluorophenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-difluorophenyl)-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-difluorophenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2611 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-difluorophenyl)-beta-alaninamide |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C15 H12 F2 N4 O3 S2 |
| Smiles: | C(CNS(c1cccc2c1nsn2)(=O)=O)C(Nc1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6822 |
| logD: | 2.6219 |
| logSw: | -3.1547 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.94 |
| InChI Key: | LELPYLIDXVYQIL-UHFFFAOYSA-N |