N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-2-bromobenzamide
Chemical Structure Depiction of
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-2-bromobenzamide
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-2-bromobenzamide
Compound characteristics
| Compound ID: | 4735-0094 |
| Compound Name: | N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-2-bromobenzamide |
| Molecular Weight: | 433.26 |
| Molecular Formula: | C19 H17 Br N2 O5 |
| Smiles: | C(CO)NC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9416 |
| logD: | 0.2929 |
| logSw: | -2.9186 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.46 |
| InChI Key: | HACNDTAHBZAGBX-UHFFFAOYSA-N |