N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-4-bromobenzamide
Chemical Structure Depiction of
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-4-bromobenzamide
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-4-bromobenzamide
Compound characteristics
| Compound ID: | 3379-3145 |
| Compound Name: | N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}-4-bromobenzamide |
| Molecular Weight: | 433.26 |
| Molecular Formula: | C19 H17 Br N2 O5 |
| Smiles: | C(CO)NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4662 |
| logD: | 0.8175 |
| logSw: | -2.9334 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.46 |
| InChI Key: | GNXIRVUGZMFDAJ-UHFFFAOYSA-N |