2-[benzyl(butyl)amino]-5-[(3-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-[(3-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[benzyl(butyl)amino]-5-[(3-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0641 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-[(3-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.55 |
| Molecular Formula: | C23 H24 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1c(cc(cn1)NS(c1cccc(c1)F)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1276 |
| logD: | 3.7968 |
| logSw: | -4.7146 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.36 |
| InChI Key: | FZPDZTUNUQKURC-UHFFFAOYSA-N |