5-bromo-N-[3-(3,4-dimethoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Chemical Structure Depiction of
5-bromo-N-[3-(3,4-dimethoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
5-bromo-N-[3-(3,4-dimethoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | 2733-3740 |
| Compound Name: | 5-bromo-N-[3-(3,4-dimethoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide |
| Molecular Weight: | 556.37 |
| Molecular Formula: | C25 H22 Br N3 O7 |
| Smiles: | COc1ccc(cc1C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1ccc(c(c1)OC)OC)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4787 |
| logD: | 2.6477 |
| logSw: | -4.5215 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.527 |
| InChI Key: | MTUYUPVBSBMAEI-UHFFFAOYSA-N |