5-(azepan-1-yl)-2-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
5-(azepan-1-yl)-2-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid
5-(azepan-1-yl)-2-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F686-0520 |
| Compound Name: | 5-(azepan-1-yl)-2-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C21 H26 N2 O6 S |
| Smiles: | COc1ccc(c(c1)S(Nc1ccc(cc1C(O)=O)N1CCCCCC1)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7128 |
| logD: | -0.1721 |
| logSw: | -3.9441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.556 |
| InChI Key: | DGQSOJJHGKAOCR-UHFFFAOYSA-N |