3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-1-phenylethyl}-N-methylprop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-1-phenylethyl}-N-methylprop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-1-phenylethyl}-N-methylprop-2-enamide
Compound characteristics
| Compound ID: | C094-0236 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-1-phenylethyl}-N-methylprop-2-enamide |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C27 H24 N2 O6 |
| Smiles: | CN(C(C(Nc1ccc2c(c1)OCCO2)=O)c1ccccc1)C(/C=C\c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.351 |
| logD: | 3.3507 |
| logSw: | -3.634 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.683 |
| InChI Key: | GRQZTKOSIIKODJ-AREMUKBSSA-N |