N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]butanamide
Chemical Structure Depiction of
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]butanamide
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]butanamide
Compound characteristics
| Compound ID: | L398-0231 |
| Compound Name: | N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]butanamide |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | CCCC(Nc1ccc(cc1)SCc1nnc(c2ccc3c(c2)OCO3)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8296 |
| logD: | 3.8296 |
| logSw: | -3.9624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.413 |
| InChI Key: | QCNACVOKMULQPD-UHFFFAOYSA-N |