N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Compound characteristics
| Compound ID: | 2535-3102 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide |
| Molecular Weight: | 529.77 |
| Molecular Formula: | C24 H18 Br Cl N2 O5 |
| Smiles: | COc1ccc(cc1[Cl])NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9919 |
| logD: | 4.6338 |
| logSw: | -5.0739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70 |
| InChI Key: | PXRUEOATIDPYOZ-UHFFFAOYSA-N |