2-(azepan-1-yl)-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0321 |
| Compound Name: | 2-(azepan-1-yl)-5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 548.53 |
| Molecular Formula: | C21 H26 N2 O6 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1OC)S(Nc1ccc(c(c1)C(O)=O)N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7718 |
| logD: | 1.6562 |
| logSw: | -3.9186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.04 |
| InChI Key: | LDDJVYQFOGGNJA-UHFFFAOYSA-N |