5-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
Compound characteristics
Compound ID: | C226-1218 |
Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide |
Molecular Weight: | 402.79 |
Molecular Formula: | C19 H15 Cl N2 O6 |
Smiles: | COc1cc(c(cc1NC(c1cc(c2ccc3c(c2)OCO3)on1)=O)OC)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.146 |
logD: | 4.0973 |
logSw: | -4.5221 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.543 |
InChI Key: | LLVSUUKMZVRDHY-UHFFFAOYSA-N |