4-[benzyl(methyl)amino]-3-[(2,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[benzyl(methyl)amino]-3-[(2,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[benzyl(methyl)amino]-3-[(2,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0196 |
| Compound Name: | 4-[benzyl(methyl)amino]-3-[(2,5-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(C)c(c1)S(Nc1cc(ccc1N(C)Cc1ccccc1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2658 |
| logD: | 2.1899 |
| logSw: | -4.8659 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.252 |
| InChI Key: | TXCJOFSOCMDHNG-UHFFFAOYSA-N |