3-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
Chemical Structure Depiction of
3-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
3-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | 3681-2878 |
| Compound Name: | 3-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide |
| Molecular Weight: | 406.18 |
| Molecular Formula: | C17 H9 Cl2 N3 O5 |
| Smiles: | C1Oc2cc(\C=C(/C#N)C(Nc3cc(ccc3[Cl])[N+]([O-])=O)=O)c(cc2O1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2354 |
| logD: | 1.3261 |
| logSw: | -4.6004 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.185 |
| InChI Key: | ZUFRBMKUFRKRLC-UHFFFAOYSA-N |