5-(azepan-1-yl)-2-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
5-(azepan-1-yl)-2-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid
5-(azepan-1-yl)-2-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F686-0006 |
| Compound Name: | 5-(azepan-1-yl)-2-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 453.35 |
| Molecular Formula: | C19 H21 Br N2 O4 S |
| Smiles: | C1CCCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7203 |
| logD: | 0.8355 |
| logSw: | -4.2685 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.382 |
| InChI Key: | ZMEFEKFHIQYCAW-UHFFFAOYSA-N |