methyl 3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]benzoate
Chemical Structure Depiction of
methyl 3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]benzoate
methyl 3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]benzoate
Compound characteristics
| Compound ID: | 3379-2241 |
| Compound Name: | methyl 3-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-bromobenzamido)prop-2-enamido]benzoate |
| Molecular Weight: | 523.34 |
| Molecular Formula: | C25 H19 Br N2 O6 |
| Smiles: | COC(c1cccc(c1)NC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2772 |
| logD: | 4.9191 |
| logSw: | -5.4045 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.544 |
| InChI Key: | RXVMXHGUNNCFCP-UHFFFAOYSA-N |