2-(azocan-1-yl)-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azocan-1-yl)-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(azocan-1-yl)-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0679 |
| Compound Name: | 2-(azocan-1-yl)-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 566.98 |
| Molecular Formula: | C21 H25 Cl N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1[Cl])S(Nc1ccc(c(c1)C(O)=O)N1CCCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9379 |
| logD: | 2.8223 |
| logSw: | -4.5892 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.409 |
| InChI Key: | XOOVFOSHDHQYRF-UHFFFAOYSA-N |