2-bromo-N-[3-(3-chloro-4-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide
Chemical Structure Depiction of
2-bromo-N-[3-(3-chloro-4-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide
2-bromo-N-[3-(3-chloro-4-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide
Compound characteristics
| Compound ID: | 2681-3446 |
| Compound Name: | 2-bromo-N-[3-(3-chloro-4-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide |
| Molecular Weight: | 560.79 |
| Molecular Formula: | C24 H19 Br Cl N3 O6 |
| Smiles: | COc1ccc(c(c1)C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1ccc(c(c1)[Cl])OC)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2143 |
| logD: | 4.9255 |
| logSw: | -5.6687 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.81 |
| InChI Key: | JVDQMKQOOIFFHT-UHFFFAOYSA-N |