N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-methylthiophene-2-carboxamide
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | L398-0249 |
| Compound Name: | N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-methylthiophene-2-carboxamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C22 H17 N3 O4 S2 |
| Smiles: | Cc1ccsc1C(Nc1ccc(cc1)SCc1nnc(c2ccc3c(c2)OCO3)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6736 |
| logD: | 4.6736 |
| logSw: | -4.4378 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.373 |
| InChI Key: | QRZNAOMKXOKMHJ-UHFFFAOYSA-N |