N-[1-(2H-1,3-benzodioxol-5-yl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Compound characteristics
| Compound ID: | 4735-0103 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-2-bromobenzamide |
| Molecular Weight: | 459.29 |
| Molecular Formula: | C21 H19 Br N2 O5 |
| Smiles: | C1COCCN1C(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6737 |
| logD: | 0.5141 |
| logSw: | -3.4259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.835 |
| InChI Key: | IGSTVQANNBVILI-UHFFFAOYSA-N |