2-[benzyl(butyl)amino]-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[benzyl(butyl)amino]-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0626 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 583.58 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1c(cc(cn1)NS(c1ccc(cc1)OC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1168 |
| logD: | 3.786 |
| logSw: | -4.7272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.904 |
| InChI Key: | QXFNGGZOGRVAPE-UHFFFAOYSA-N |