2-[benzyl(butyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[benzyl(butyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0644 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 597.61 |
| Molecular Formula: | C25 H29 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1c(cc(cn1)NS(c1ccc(cc1)OCC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5034 |
| logD: | 4.1725 |
| logSw: | -5.1222 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.484 |
| InChI Key: | IBGSZNYFJOQPIX-UHFFFAOYSA-N |