6-[benzyl(ethyl)amino]-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
6-[benzyl(ethyl)amino]-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
6-[benzyl(ethyl)amino]-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0039 |
| Compound Name: | 6-[benzyl(ethyl)amino]-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 553.56 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)c1c(cc(cn1)C(O)=O)NS(c1cc(C)cc(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7409 |
| logD: | 1.9746 |
| logSw: | -4.1923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.409 |
| InChI Key: | CRTGQTMGIOMLIP-UHFFFAOYSA-N |