5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylbenzene-1-sulfonamide
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L286-1647 |
| Compound Name: | 5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylbenzene-1-sulfonamide |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C24 H26 N4 O6 S |
| Smiles: | Cc1ccc(cc1S(NCc1ccc2c(c1)OCO2)(=O)=O)c1nc(C(N2CCCCCC2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.449 |
| logD: | 4.4481 |
| logSw: | -4.2235 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.769 |
| InChI Key: | GNCRTOKQOMMPDR-UHFFFAOYSA-N |