5-(azepan-1-yl)-2-[(2,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
5-(azepan-1-yl)-2-[(2,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid
5-(azepan-1-yl)-2-[(2,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F686-0600 |
| Compound Name: | 5-(azepan-1-yl)-2-[(2,4-dimethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C21 H26 N2 O4 S |
| Smiles: | Cc1ccc(c(C)c1)S(Nc1ccc(cc1C(O)=O)N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7658 |
| logD: | 0.8809 |
| logSw: | -4.175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.382 |
| InChI Key: | IOIOWGSZVZFDRF-UHFFFAOYSA-N |