N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D109-0330 |
| Compound Name: | N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 421.41 |
| Molecular Formula: | C22 H19 N3 O6 |
| Smiles: | CCOc1ccc(cc1OCC)c1c(NC(C2=Cc3ccccc3OC2=O)=O)non1 |
| Stereo: | ACHIRAL |
| logP: | 3.645 |
| logD: | 3.1059 |
| logSw: | -3.9727 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.428 |
| InChI Key: | HIVVMJIJUPFWIV-UHFFFAOYSA-N |