2-[butyl(methyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0091 |
| Compound Name: | 2-[butyl(methyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 504.52 |
| Molecular Formula: | C20 H26 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1C(O)=O)NS(c1ccc(CC)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7561 |
| logD: | 2.6405 |
| logSw: | -4.2668 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.2 |
| InChI Key: | JPLXSRMURCZJLE-UHFFFAOYSA-N |