2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | 2399-2316 |
| Compound Name: | 2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 509.36 |
| Molecular Formula: | C24 H21 Br N4 O4 |
| Smiles: | CN(C)c1ccc(\C=C(/C(Nc2ccc(cc2)[N+]([O-])=O)=O)NC(c2ccccc2[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6002 |
| logD: | 4.0463 |
| logSw: | -4.4915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.44 |
| InChI Key: | HJGJHVQHDCNUET-UHFFFAOYSA-N |