2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | 2399-2323 |
| Compound Name: | 2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 539.38 |
| Molecular Formula: | C25 H23 Br N4 O5 |
| Smiles: | CN(C)c1ccc(\C=C(/C(Nc2ccc(cc2OC)[N+]([O-])=O)=O)NC(c2ccccc2[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6883 |
| logD: | 3.1949 |
| logSw: | -4.5703 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.373 |
| InChI Key: | FOURQRIJJMCBDC-UHFFFAOYSA-N |