2-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
2-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | G240-1706 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C22 H25 Cl N2 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NS(c1ccc2c(c1)OCC(C(N1CCCCCC1)=O)O2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5566 |
| logD: | 4.507 |
| logSw: | -4.5629 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.304 |
| InChI Key: | YQTOJJHFVCAIQU-OAQYLSRUSA-N |