2-[butyl(methyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0094 |
| Compound Name: | 2-[butyl(methyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 521.51 |
| Molecular Formula: | C19 H25 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1c(cc(cn1)NS(c1ccc(cc1)OCC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7002 |
| logD: | 2.0927 |
| logSw: | -3.706 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.695 |
| InChI Key: | PDBLBIZWTULZIY-UHFFFAOYSA-N |