3-(6-bromo-2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
Chemical Structure Depiction of
3-(6-bromo-2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
3-(6-bromo-2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | 3681-2877 |
| Compound Name: | 3-(6-bromo-2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide |
| Molecular Weight: | 450.63 |
| Molecular Formula: | C17 H9 Br Cl N3 O5 |
| Smiles: | C1Oc2cc(\C=C(/C#N)C(Nc3cc(ccc3[Cl])[N+]([O-])=O)=O)c(cc2O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.2035 |
| logD: | 1.2941 |
| logSw: | -4.5404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.185 |
| InChI Key: | XHOUQKGHPPJZHB-UHFFFAOYSA-N |