N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3,4-dimethoxybenzamide
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | L398-0219 |
| Compound Name: | N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C25 H21 N3 O6 S |
| Smiles: | COc1ccc(cc1OC)C(Nc1ccc(cc1)SCc1nnc(c2ccc3c(c2)OCO3)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0986 |
| logD: | 4.0986 |
| logSw: | -4.3174 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.616 |
| InChI Key: | HVPZRLBSFRJBPP-UHFFFAOYSA-N |