3-[3-(azepane-1-sulfonyl)benzamido]benzoic acid
Chemical Structure Depiction of
3-[3-(azepane-1-sulfonyl)benzamido]benzoic acid
3-[3-(azepane-1-sulfonyl)benzamido]benzoic acid
Compound characteristics
| Compound ID: | 3558-0125 |
| Compound Name: | 3-[3-(azepane-1-sulfonyl)benzamido]benzoic acid |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | C1CCCN(CC1)S(c1cccc(c1)C(Nc1cccc(c1)C(O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8188 |
| logD: | 0.9329 |
| logSw: | -3.8831 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.78 |
| InChI Key: | CIDNIKDWMQRCDU-UHFFFAOYSA-N |