2-bromo-N-[3-(2,4-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide
Chemical Structure Depiction of
2-bromo-N-[3-(2,4-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide
2-bromo-N-[3-(2,4-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide
Compound characteristics
| Compound ID: | 2681-3403 |
| Compound Name: | 2-bromo-N-[3-(2,4-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide |
| Molecular Weight: | 524.37 |
| Molecular Formula: | C25 H22 Br N3 O5 |
| Smiles: | Cc1ccc(c(C)c1)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cc(ccc1[Br])OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3845 |
| logD: | 5.3126 |
| logSw: | -5.4224 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.482 |
| InChI Key: | SMTVQMHOAYJRDN-UHFFFAOYSA-N |