N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Compound characteristics
| Compound ID: | 2628-3128 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide |
| Molecular Weight: | 479.33 |
| Molecular Formula: | C24 H19 Br N2 O4 |
| Smiles: | Cc1cccc(c1)NC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8413 |
| logD: | 4.4831 |
| logSw: | -4.6222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.37 |
| InChI Key: | LKAIURDUIFDMTD-UHFFFAOYSA-N |