2-(azocan-1-yl)-5-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azocan-1-yl)-5-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(azocan-1-yl)-5-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0662 |
| Compound Name: | 2-(azocan-1-yl)-5-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.4 |
| Molecular Formula: | C20 H23 Br N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CCC1)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5916 |
| logD: | 3.4759 |
| logSw: | -5.5017 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.779 |
| InChI Key: | XJLCARGTAUEXJO-UHFFFAOYSA-N |