2-[5-(azepane-1-sulfonyl)-2-chlorobenzamido]benzoic acid
Chemical Structure Depiction of
2-[5-(azepane-1-sulfonyl)-2-chlorobenzamido]benzoic acid
2-[5-(azepane-1-sulfonyl)-2-chlorobenzamido]benzoic acid
Compound characteristics
| Compound ID: | 3019-0396 |
| Compound Name: | 2-[5-(azepane-1-sulfonyl)-2-chlorobenzamido]benzoic acid |
| Molecular Weight: | 436.91 |
| Molecular Formula: | C20 H21 Cl N2 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(c(c1)C(Nc1ccccc1C(O)=O)=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5759 |
| logD: | -0.2502 |
| logSw: | -4.461 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.082 |
| InChI Key: | JQRCGDJYWZKQSE-UHFFFAOYSA-N |