2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2,4-dimethylanilino)-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2,4-dimethylanilino)-3-oxoprop-1-en-2-yl}benzamide
2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2,4-dimethylanilino)-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | 2399-2322 |
| Compound Name: | 2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2,4-dimethylanilino)-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 492.42 |
| Molecular Formula: | C26 H26 Br N3 O2 |
| Smiles: | Cc1ccc(c(C)c1)NC(/C(=C\c1ccc(cc1)N(C)C)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3554 |
| logD: | 5.1816 |
| logSw: | -5.3182 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.361 |
| InChI Key: | JFWIWEAHXCMNAU-UHFFFAOYSA-N |