N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Chemical Structure Depiction of
N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Compound characteristics
| Compound ID: | D109-0331 |
| Compound Name: | N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C21 H21 N3 O6 |
| Smiles: | CCOc1ccc(cc1OCC)c1c(NC(C2COc3ccccc3O2)=O)non1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8058 |
| logD: | 3.7946 |
| logSw: | -3.964 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.944 |
| InChI Key: | GCBYUAPZMPRRGW-SFHVURJKSA-N |