5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1)
5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0800 |
| Compound Name: | 5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 494.44 |
| Molecular Formula: | C17 H20 N2 O6 S |
| Salt: | CF3COOH |
| Smiles: | CN(C)c1ccc(cc1C(O)=O)NS(c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5773 |
| logD: | 0.4616 |
| logSw: | -3.0372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.061 |
| InChI Key: | SQLDUXCVPURNND-UHFFFAOYSA-N |