4-[benzyl(methyl)amino]-3-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[benzyl(methyl)amino]-3-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[benzyl(methyl)amino]-3-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0191 |
| Compound Name: | 4-[benzyl(methyl)amino]-3-[(4-bromobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 589.38 |
| Molecular Formula: | C21 H19 Br N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CN(Cc1ccccc1)c1ccc(cc1NS(c1ccc(cc1)[Br])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.334 |
| logD: | 2.5401 |
| logSw: | -5.1443 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.252 |
| InChI Key: | AWQNMDRQEOPUDG-UHFFFAOYSA-N |