3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-1-phenylethyl}prop-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}prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-1-phenylethyl}prop-2-enamide
Compound characteristics
| Compound ID: | C094-0225 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-1-phenylethyl}prop-2-enamide |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C26 H22 N2 O6 |
| Smiles: | C1COc2cc(ccc2O1)NC(C(c1ccccc1)NC(/C=C\c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2285 |
| logD: | 3.2284 |
| logSw: | -3.3866 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.82 |
| InChI Key: | MUAPGBFXTPRDHK-RUZDIDTESA-N |