N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-nitrobenzamide
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8017-3231 |
| Compound Name: | N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-nitrobenzamide |
| Molecular Weight: | 483.27 |
| Molecular Formula: | C22 H15 Br N2 O6 |
| Smiles: | C1COc2cc(c(cc2O1)C(c1ccccc1[Br])=O)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6375 |
| logD: | 2.4293 |
| logSw: | -4.1801 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.303 |
| InChI Key: | HOIKXECPJGYFAR-UHFFFAOYSA-N |