2-(2-bromo-4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-bromo-4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(2-bromo-4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
Compound ID: | K088-2017 |
Compound Name: | 2-(2-bromo-4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one |
Molecular Weight: | 448.27 |
Molecular Formula: | C20 H18 Br N O6 |
Smiles: | COc1ccc(C2=NC(=C/c3cc(c(c(c3)OC)OC)OC)\C(=O)O2)c(c1)[Br] |
Stereo: | ACHIRAL |
logP: | 3.7502 |
logD: | 3.7502 |
logSw: | -4.2167 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 60.897 |
InChI Key: | COBXCDGWONJDMU-UHFFFAOYSA-N |