N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2630 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]-beta-alaninamide |
| Molecular Weight: | 446.42 |
| Molecular Formula: | C16 H13 F3 N4 O4 S2 |
| Smiles: | C(CNS(c1cccc2c1nsn2)(=O)=O)C(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5168 |
| logD: | 3.5114 |
| logSw: | -3.8551 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.877 |
| InChI Key: | PUWVLOMPIZBXBE-UHFFFAOYSA-N |