N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2525 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromophenyl)-beta-alaninamide |
| Molecular Weight: | 441.32 |
| Molecular Formula: | C15 H13 Br N4 O3 S2 |
| Smiles: | C(CNS(c1cccc2c1nsn2)(=O)=O)C(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1595 |
| logD: | 3.1541 |
| logSw: | -3.475 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.94 |
| InChI Key: | KXGZKMBXRZPPEX-UHFFFAOYSA-N |