N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
Compound ID: | J015-0455 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
Molecular Weight: | 386.79 |
Molecular Formula: | C18 H15 Cl N4 O4 |
Smiles: | C(c1ccc2c(c1)OCO2)NC(COc1ccc(cc1n1cnnc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 2.0792 |
logD: | 2.0791 |
logSw: | -3.0186 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.87 |
InChI Key: | IXIBKLQNZTYGQJ-UHFFFAOYSA-N |