3-(2H-1,3-benzodioxol-5-yl)-N-[(furan-2-yl)methyl]-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-[(furan-2-yl)methyl]-N-{1-(4-methylphenyl)-2-oxo-2-[4-(propan-2-yl)anilino]ethyl}prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-[(furan-2-yl)methyl]-N-{1-(4-methylphenyl)-2-oxo-2-[4-(propan-2-yl)anilino]ethyl}prop-2-enamide
Compound characteristics
| Compound ID: | C094-0436 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[(furan-2-yl)methyl]-N-{1-(4-methylphenyl)-2-oxo-2-[4-(propan-2-yl)anilino]ethyl}prop-2-enamide |
| Molecular Weight: | 536.63 |
| Molecular Formula: | C33 H32 N2 O5 |
| Smiles: | CC(C)c1ccc(cc1)NC(C(c1ccc(C)cc1)N(Cc1ccco1)C(/C=C/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3908 |
| logD: | 7.3908 |
| logSw: | -5.5652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.59 |
| InChI Key: | DCAXMHNRLWZYQN-JGCGQSQUSA-N |