N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-2-(4-methylphenoxy)acetamide
Chemical Structure Depiction of
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-2-(4-methylphenoxy)acetamide
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-2-(4-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | L398-0227 |
| Compound Name: | N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-2-(4-methylphenoxy)acetamide |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | Cc1ccc(cc1)OCC(Nc1ccc(cc1)SCc1nnc(c2ccc3c(c2)OCO3)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9321 |
| logD: | 4.9321 |
| logSw: | -4.6404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.641 |
| InChI Key: | SMEPCKBXKKKZNR-UHFFFAOYSA-N |