N-(4-bromobenzene-1-sulfonyl)-beta-alanine
Chemical Structure Depiction of
N-(4-bromobenzene-1-sulfonyl)-beta-alanine
N-(4-bromobenzene-1-sulfonyl)-beta-alanine
Compound characteristics
| Compound ID: | K781-4890 |
| Compound Name: | N-(4-bromobenzene-1-sulfonyl)-beta-alanine |
| Molecular Weight: | 308.15 |
| Molecular Formula: | C9 H10 Br N O4 S |
| Smiles: | C(CNS(c1ccc(cc1)[Br])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4214 |
| logD: | -1.4375 |
| logSw: | -2.2074 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.494 |
| InChI Key: | CAZJUADETXHVJK-UHFFFAOYSA-N |