2-(azocan-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azocan-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azocan-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0657 |
| Compound Name: | 2-(azocan-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 533.52 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(Nc1cc(C(O)=O)c(nc1)N1CCCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3977 |
| logD: | 2.7901 |
| logSw: | -4.0162 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.694 |
| InChI Key: | AVZQGNHYUMIPME-UHFFFAOYSA-N |