2-[benzyl(ethyl)amino]-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(ethyl)amino]-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(ethyl)amino]-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0002 |
| Compound Name: | 2-[benzyl(ethyl)amino]-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 566.6 |
| Molecular Formula: | C25 H28 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1c(C)cc(C)cc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8873 |
| logD: | 4.0552 |
| logSw: | -5.2974 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.735 |
| InChI Key: | MMLXSRVFDSKRDR-UHFFFAOYSA-N |