5-[(4-acetylbenzene-1-sulfonyl)amino]-2-(azocan-1-yl)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-(azocan-1-yl)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-(azocan-1-yl)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0692 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-(azocan-1-yl)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.53 |
| Molecular Formula: | C21 H25 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(c1ccc(cc1)S(Nc1cc(C(O)=O)c(nc1)N1CCCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9574 |
| logD: | 2.3498 |
| logSw: | -3.7078 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.977 |
| InChI Key: | HQCYAPSZJRDISE-UHFFFAOYSA-N |