N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{N-methyl[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{N-methyl[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{N-methyl[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L080-0724 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{N-methyl[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C22 H23 N5 O5 S |
| Smiles: | CN(CCc1nc(C(NCc2ccc3c(c2)OCO3)=O)on1)C(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8459 |
| logD: | 2.8459 |
| logSw: | -3.4487 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.656 |
| InChI Key: | GUXMMIGLSCVUTK-UHFFFAOYSA-N |