3-(2H-1,3-benzodioxol-5-yl)-N-[(furan-2-yl)methyl]-N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-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-methoxyphenyl)-2-oxoethyl]prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-[(furan-2-yl)methyl]-N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]prop-2-enamide
Compound characteristics
| Compound ID: | C094-0362 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[(furan-2-yl)methyl]-N-[2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]prop-2-enamide |
| Molecular Weight: | 540.57 |
| Molecular Formula: | C31 H28 N2 O7 |
| Smiles: | COc1ccc(cc1)C(C(Nc1ccc(cc1)OC)=O)N(Cc1ccco1)C(/C=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.594 |
| logD: | 5.594 |
| logSw: | -5.4877 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.678 |
| InChI Key: | MXCYWRZEYXMTSC-SSEXGKCCSA-N |