N-{1-[4-(dimethylamino)phenyl]-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{1-[4-(dimethylamino)phenyl]-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl}-2-fluorobenzamide
N-{1-[4-(dimethylamino)phenyl]-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | 2255-1600 |
| Compound Name: | N-{1-[4-(dimethylamino)phenyl]-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl}-2-fluorobenzamide |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C25 H23 F N4 O4 |
| Smiles: | Cc1ccc(cc1NC(/C(=C/c1ccc(cc1)N(C)C)NC(c1ccccc1F)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3422 |
| logD: | 4.0601 |
| logSw: | -4.4596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.743 |
| InChI Key: | JMWOGLIGVGOSJM-UHFFFAOYSA-N |