2-[benzyl(methyl)amino]-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(methyl)amino]-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[benzyl(methyl)amino]-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0204 |
| Compound Name: | 2-[benzyl(methyl)amino]-5-[(3,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 539.53 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1cc(C(O)=O)c(nc1)N(C)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8512 |
| logD: | 3.5204 |
| logSw: | -4.2727 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.321 |
| InChI Key: | XYPVYGFGZCTNDV-UHFFFAOYSA-N |