3-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
Chemical Structure Depiction of
3-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
3-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | 3681-3286 |
| Compound Name: | 3-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide |
| Molecular Weight: | 406.18 |
| Molecular Formula: | C17 H9 Cl2 N3 O5 |
| Smiles: | C1Oc2cc(\C=C(/C#N)C(Nc3ccc(c(c3)[N+]([O-])=O)[Cl])=O)c(cc2O1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1157 |
| logD: | 1.2943 |
| logSw: | -4.5216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.582 |
| InChI Key: | XWBXBRKGFWTQLF-UHFFFAOYSA-N |