3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]propyl acetate
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]propyl acetate
3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]propyl acetate
Compound characteristics
| Compound ID: | 3379-3148 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]propyl acetate |
| Molecular Weight: | 489.32 |
| Molecular Formula: | C22 H21 Br N2 O6 |
| Smiles: | CC(=O)OCCCNC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3821 |
| logD: | 1.7333 |
| logSw: | -3.528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.954 |
| InChI Key: | SJYYBZYXTWJNIT-UHFFFAOYSA-N |