3-[4-(2H-1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-3-hydroxy-1-[(2-methylphenyl)methyl]-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-3-hydroxy-1-[(2-methylphenyl)methyl]-1,3-dihydro-2H-indol-2-one
3-[4-(2H-1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-3-hydroxy-1-[(2-methylphenyl)methyl]-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 5184-0046 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-3-hydroxy-1-[(2-methylphenyl)methyl]-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C27 H23 N O5 |
| Smiles: | Cc1ccccc1CN1C(C(CC(/C=C/c2ccc3c(c2)OCO3)=O)(c2ccccc12)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7611 |
| logD: | 4.7611 |
| logSw: | -4.4885 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.667 |
| InChI Key: | VTKMMIFQVPYGTK-GMTSLGDESA-N |