2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | 2399-2318 |
| Compound Name: | 2-bromo-N-{1-[4-(dimethylamino)phenyl]-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 523.39 |
| Molecular Formula: | C25 H23 Br N4 O4 |
| Smiles: | Cc1ccc(cc1NC(/C(=C\c1ccc(cc1)N(C)C)NC(c1ccccc1[Br])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6686 |
| logD: | 4.3865 |
| logSw: | -4.5229 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.743 |
| InChI Key: | OIRXNTKCXNZFMD-UHFFFAOYSA-N |