2-chloro-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-fluorobenzamide
Chemical Structure Depiction of
2-chloro-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-fluorobenzamide
2-chloro-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | 2681-3535 |
| Compound Name: | 2-chloro-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-fluorobenzamide |
| Molecular Weight: | 519.27 |
| Molecular Formula: | C22 H13 Cl2 F N4 O6 |
| Smiles: | C(=C(/C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)NC(c1ccc(cc1[Cl])F)=O)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0251 |
| logD: | 3.4899 |
| logSw: | -5.4622 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.716 |
| InChI Key: | WDJDBPBXSCXLAG-UHFFFAOYSA-N |