2-[butyl(methyl)amino]-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0093 |
| Compound Name: | 2-[butyl(methyl)amino]-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 490.5 |
| Molecular Formula: | C19 H24 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1C(O)=O)NS(c1ccccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9885 |
| logD: | 1.8729 |
| logSw: | -3.9175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.2 |
| InChI Key: | KALKATAYYJLBNU-UHFFFAOYSA-N |