3-(2H-1,3-benzodioxol-5-yl)-N-{1-(4-methylphenyl)-2-oxo-2-[4-(propan-2-yl)anilino]ethyl}prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-{1-(4-methylphenyl)-2-oxo-2-[4-(propan-2-yl)anilino]ethyl}prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-{1-(4-methylphenyl)-2-oxo-2-[4-(propan-2-yl)anilino]ethyl}prop-2-enamide
Compound characteristics
| Compound ID: | C094-0413 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-{1-(4-methylphenyl)-2-oxo-2-[4-(propan-2-yl)anilino]ethyl}prop-2-enamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C28 H28 N2 O4 |
| Smiles: | CC(C)c1ccc(cc1)NC(C(c1ccc(C)cc1)NC(/C=C/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0132 |
| logD: | 6.0131 |
| logSw: | -5.4631 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.997 |
| InChI Key: | UVXWIBSRUHBTIG-HHHXNRCGSA-N |