5-(azepan-1-yl)-2-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
5-(azepan-1-yl)-2-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid
5-(azepan-1-yl)-2-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F686-1388 |
| Compound Name: | 5-(azepan-1-yl)-2-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | Cc1cc(C)c(c(C)c1)S(Nc1ccc(cc1C(O)=O)N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3188 |
| logD: | 1.4339 |
| logSw: | -4.9174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.382 |
| InChI Key: | KBWCAFBYUBAEEV-UHFFFAOYSA-N |