2-(azepan-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0311 |
| Compound Name: | 2-(azepan-1-yl)-5-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 518.51 |
| Molecular Formula: | C20 H24 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2442 |
| logD: | 2.1285 |
| logSw: | -4.1182 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.323 |
| InChI Key: | SGJVNGKPCBMBRS-UHFFFAOYSA-N |