2-(azocan-1-yl)-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azocan-1-yl)-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(azocan-1-yl)-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0685 |
| Compound Name: | 2-(azocan-1-yl)-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 546.56 |
| Molecular Formula: | C22 H28 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1267 |
| logD: | 3.011 |
| logSw: | -4.6949 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.902 |
| InChI Key: | SLJOKJSVVNGAEW-UHFFFAOYSA-N |