N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromophenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromophenyl)-beta-alaninamide
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromophenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-1490 |
| Compound Name: | N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(4-bromophenyl)-beta-alaninamide |
| Molecular Weight: | 425.26 |
| Molecular Formula: | C15 H13 Br N4 O4 S |
| Smiles: | C(CNS(c1cccc2c1non2)(=O)=O)C(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1833 |
| logD: | 3.1779 |
| logSw: | -3.5052 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.077 |
| InChI Key: | VUGIEERLVZETPY-UHFFFAOYSA-N |