2-[benzyl(ethyl)amino]-5-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(ethyl)amino]-5-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(ethyl)amino]-5-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0005 |
| Compound Name: | 2-[benzyl(ethyl)amino]-5-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 603.41 |
| Molecular Formula: | C22 H21 Br N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2889 |
| logD: | 3.4568 |
| logSw: | -5.1063 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.735 |
| InChI Key: | JMSJQOFHLFYMPS-UHFFFAOYSA-N |