3-(2H-1,3-benzodioxol-5-yl)-N-[(furan-2-yl)methyl]-N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-[(furan-2-yl)methyl]-N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-[(furan-2-yl)methyl]-N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]prop-2-enamide
Compound characteristics
| Compound ID: | C094-0361 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[(furan-2-yl)methyl]-N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]prop-2-enamide |
| Molecular Weight: | 524.57 |
| Molecular Formula: | C31 H28 N2 O6 |
| Smiles: | Cc1ccc(cc1)C(C(Nc1ccc(cc1)OC)=O)N(Cc1ccco1)C(/C=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.035 |
| logD: | 6.035 |
| logSw: | -5.4818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.134 |
| InChI Key: | WQNALTKSQUJWJD-SSEXGKCCSA-N |