3-(azepane-1-sulfonyl)benzoic acid
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)benzoic acid
3-(azepane-1-sulfonyl)benzoic acid
Compound characteristics
| Compound ID: | FF57-5044 |
| Compound Name: | 3-(azepane-1-sulfonyl)benzoic acid |
| Molecular Weight: | 283.34 |
| Molecular Formula: | C13 H17 N O4 S |
| Smiles: | C1CCCN(CC1)S(c1cccc(c1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6869 |
| logD: | -2.0188 |
| logSw: | -2.8781 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.688 |
| InChI Key: | KDJJBORBRZBZPN-UHFFFAOYSA-N |