2-chloro-4-fluoro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2-chloro-4-fluoro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
2-chloro-4-fluoro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2681-3534 |
| Compound Name: | 2-chloro-4-fluoro-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 514.85 |
| Molecular Formula: | C23 H16 Cl F N4 O7 |
| Smiles: | COc1cc(ccc1NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1ccc(cc1[Cl])F)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7641 |
| logD: | 3.2708 |
| logSw: | -5.1109 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.95 |
| InChI Key: | AFXNUGVIGMARCN-UHFFFAOYSA-N |