5-chloro-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Chemical Structure Depiction of
5-chloro-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
5-chloro-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | 2681-3545 |
| Compound Name: | 5-chloro-N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide |
| Molecular Weight: | 531.31 |
| Molecular Formula: | C23 H16 Cl2 N4 O7 |
| Smiles: | COc1ccc(cc1C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0219 |
| logD: | 3.1909 |
| logSw: | -5.2069 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.347 |
| InChI Key: | JYEQLWVNBOYQKQ-UHFFFAOYSA-N |