2-(azocan-1-yl)-5-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azocan-1-yl)-5-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(azocan-1-yl)-5-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0663 |
| Compound Name: | 2-(azocan-1-yl)-5-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 454.46 |
| Molecular Formula: | C16 H24 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCS(Nc1ccc(c(c1)C(O)=O)N1CCCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6636 |
| logD: | 1.548 |
| logSw: | -3.7181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.677 |
| InChI Key: | GFBJAJGSMPNYRW-UHFFFAOYSA-N |