N-[3-(2-bromo-4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
Chemical Structure Depiction of
N-[3-(2-bromo-4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
N-[3-(2-bromo-4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | 2681-3464 |
| Compound Name: | N-[3-(2-bromo-4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-3-methylbenzamide |
| Molecular Weight: | 494.34 |
| Molecular Formula: | C24 H20 Br N3 O4 |
| Smiles: | Cc1cccc(c1)C(NC(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1ccc(C)cc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5516 |
| logD: | 4.5557 |
| logSw: | -5.4948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.938 |
| InChI Key: | QTYNZVAUUAZTTQ-UHFFFAOYSA-N |