2-[butyl(methyl)amino]-5-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0079 |
| Compound Name: | 2-[butyl(methyl)amino]-5-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 536.52 |
| Molecular Formula: | C20 H26 N2 O6 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1C(O)=O)NS(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6518 |
| logD: | 1.5361 |
| logSw: | -3.8742 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.374 |
| InChI Key: | KBTHCBUMMWODAO-UHFFFAOYSA-N |