3-(2H-1,3-benzodioxol-5-yl)-N-methyl-N-{2-oxo-1-phenyl-2-[4-(propan-2-yl)anilino]ethyl}prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-methyl-N-{2-oxo-1-phenyl-2-[4-(propan-2-yl)anilino]ethyl}prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-methyl-N-{2-oxo-1-phenyl-2-[4-(propan-2-yl)anilino]ethyl}prop-2-enamide
Compound characteristics
| Compound ID: | C094-0415 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-methyl-N-{2-oxo-1-phenyl-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(c1ccccc1)N(C)C(/C=C/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7166 |
| logD: | 5.7166 |
| logSw: | -5.4125 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.859 |
| InChI Key: | HOIACCORQBRKKG-HHHXNRCGSA-N |