2-[benzyl(methyl)amino]-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(methyl)amino]-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(methyl)amino]-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0199 |
| Compound Name: | 2-[benzyl(methyl)amino]-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 570.54 |
| Molecular Formula: | C23 H24 N2 O6 S |
| Salt: | CF3COOH |
| Smiles: | CN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9005 |
| logD: | 2.0684 |
| logSw: | -3.9729 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.211 |
| InChI Key: | IWHVNUUATSABFY-UHFFFAOYSA-N |