2-(azocan-1-yl)-5-[(3,4-dichlorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azocan-1-yl)-5-[(3,4-dichlorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azocan-1-yl)-5-[(3,4-dichlorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0691 |
| Compound Name: | 2-(azocan-1-yl)-5-[(3,4-dichlorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 572.39 |
| Molecular Formula: | C19 H21 Cl2 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CCC1)c1c(cc(cn1)NS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5592 |
| logD: | 3.9517 |
| logSw: | -5.5844 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.15 |
| InChI Key: | MQRYYMYZCQGNSQ-UHFFFAOYSA-N |