3-(6-bromo-2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
Chemical Structure Depiction of
3-(6-bromo-2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
3-(6-bromo-2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | 3681-3285 |
| Compound Name: | 3-(6-bromo-2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide |
| Molecular Weight: | 450.63 |
| Molecular Formula: | C17 H9 Br Cl N3 O5 |
| Smiles: | C1Oc2cc(\C=C(/C#N)C(Nc3ccc(c(c3)[N+]([O-])=O)[Cl])=O)c(cc2O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0837 |
| logD: | 1.2624 |
| logSw: | -4.4985 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.582 |
| InChI Key: | OAEWIHIVVLOHAE-UHFFFAOYSA-N |