N-{1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-2-chlorobenzamide
Chemical Structure Depiction of
N-{1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-2-chlorobenzamide
N-{1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-2-chlorobenzamide
Compound characteristics
| Compound ID: | V030-1452 |
| Compound Name: | N-{1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-2-chlorobenzamide |
| Molecular Weight: | 413.86 |
| Molecular Formula: | C21 H20 Cl N3 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)C(c1nc(c2ccc3c(c2)OCO3)no1)NC(c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8501 |
| logD: | 5.85 |
| logSw: | -5.7922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.797 |
| InChI Key: | IOKDPLODLCELGJ-UHFFFAOYSA-N |