2-[benzyl(methyl)amino]-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(methyl)amino]-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(methyl)amino]-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0205 |
| Compound Name: | 2-[benzyl(methyl)amino]-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 538.54 |
| Molecular Formula: | C23 H24 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1ccc(c(c1)C(O)=O)N(C)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3192 |
| logD: | 3.4871 |
| logSw: | -5.1102 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.95 |
| InChI Key: | RPMBIIZXBBVFLJ-UHFFFAOYSA-N |