5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[benzyl(butyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[benzyl(butyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[benzyl(butyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0653 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[benzyl(butyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 595.59 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1c(cc(cn1)NS(c1ccc(cc1)C(C)=O)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6765 |
| logD: | 3.3457 |
| logSw: | -4.1663 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.187 |
| InChI Key: | IRESAKUDFDVAGJ-UHFFFAOYSA-N |