N-[1-(2H-1,3-benzodioxol-5-yl)-3-(5-chloro-2-methylanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(5-chloro-2-methylanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(5-chloro-2-methylanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Compound characteristics
| Compound ID: | 2447-2655 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(5-chloro-2-methylanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide |
| Molecular Weight: | 513.77 |
| Molecular Formula: | C24 H18 Br Cl N2 O4 |
| Smiles: | Cc1ccc(cc1NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccc(cc1)[Br])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6613 |
| logD: | 5.5664 |
| logSw: | -6.164 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.672 |
| InChI Key: | MDNNWUDBVJFAIW-UHFFFAOYSA-N |