5-(azepan-1-yl)-2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
5-(azepan-1-yl)-2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]benzoic acid
5-(azepan-1-yl)-2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F686-1344 |
| Compound Name: | 5-(azepan-1-yl)-2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 426.89 |
| Molecular Formula: | C19 H20 Cl F N2 O4 S |
| Smiles: | C1CCCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3652 |
| logD: | 0.4804 |
| logSw: | -4.2775 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.382 |
| InChI Key: | SQQKFDYMUMFHKN-UHFFFAOYSA-N |