2-(azocan-1-yl)-5-[(5-chlorothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azocan-1-yl)-5-[(5-chlorothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(azocan-1-yl)-5-[(5-chlorothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0673 |
| Compound Name: | 2-(azocan-1-yl)-5-[(5-chlorothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 542.98 |
| Molecular Formula: | C18 H21 Cl N2 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CCC1)c1ccc(cc1C(O)=O)NS(c1ccc(s1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.296 |
| logD: | 3.1804 |
| logSw: | -5.5107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.797 |
| InChI Key: | AYKNKVYQWKFRKT-UHFFFAOYSA-N |