N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[4-(pyrrolidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[4-(pyrrolidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[4-(pyrrolidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}propanamide
Compound characteristics
Compound ID: | L826-0075 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[4-(pyrrolidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}propanamide |
Molecular Weight: | 420.47 |
Molecular Formula: | C23 H24 N4 O4 |
Smiles: | C1CCN(C1)c1ccc(cc1)c1nc(CCC(NCc2ccc3c(c2)OCO3)=O)on1 |
Stereo: | ACHIRAL |
logP: | 4.0738 |
logD: | 4.0738 |
logSw: | -4.2341 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.715 |
InChI Key: | XKMPJCFGFJLFAL-UHFFFAOYSA-N |