N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Compound characteristics
| Compound ID: | 2628-3198 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide |
| Molecular Weight: | 465.85 |
| Molecular Formula: | C23 H16 Cl N3 O6 |
| Smiles: | C1Oc2ccc(\C=C(/C(Nc3ccc(cc3)[N+]([O-])=O)=O)NC(c3ccccc3[Cl])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.5528 |
| logD: | 4.1946 |
| logSw: | -4.6553 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.751 |
| InChI Key: | QQXWSAJFAMKLQC-UHFFFAOYSA-N |