4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | L111-0043 |
Compound Name: | 4-{[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
Molecular Weight: | 335.36 |
Molecular Formula: | C19 H17 N3 O3 |
Smiles: | CCc1ccc(cc1)c1nc(CN2C(COc3ccccc23)=O)on1 |
Stereo: | ACHIRAL |
logP: | 3.974 |
logD: | 3.974 |
logSw: | -4.1215 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 55.411 |
InChI Key: | VLYUDVLTLZHYOK-UHFFFAOYSA-N |