N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitrobenzamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 2159-0538 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitrobenzamide |
| Molecular Weight: | 345.27 |
| Molecular Formula: | C15 H11 N3 O7 |
| Smiles: | C1COc2cc(ccc2O1)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.958 |
| logD: | 1.7574 |
| logSw: | -2.6988 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.916 |
| InChI Key: | OYJCDYNEXOROKW-UHFFFAOYSA-N |