4-[3-(azepane-1-sulfonyl)-4-chlorobenzamido]benzoic acid
Chemical Structure Depiction of
4-[3-(azepane-1-sulfonyl)-4-chlorobenzamido]benzoic acid
4-[3-(azepane-1-sulfonyl)-4-chlorobenzamido]benzoic acid
Compound characteristics
| Compound ID: | 8008-3177 |
| Compound Name: | 4-[3-(azepane-1-sulfonyl)-4-chlorobenzamido]benzoic acid |
| Molecular Weight: | 436.91 |
| Molecular Formula: | C20 H21 Cl N2 O5 S |
| Smiles: | C1CCCN(CC1)S(c1cc(ccc1[Cl])C(Nc1ccc(cc1)C(O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9181 |
| logD: | 1.5229 |
| logSw: | -4.2126 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.78 |
| InChI Key: | NNZWJMTXZLOBAE-UHFFFAOYSA-N |