4-(2H-1,3-benzodioxole-5-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
4-(2H-1,3-benzodioxole-5-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7284 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 451.43 |
| Molecular Formula: | C24 H21 N O8 |
| Smiles: | C1CC(CN2C(C(=C(C2=O)O)C(c2ccc3c(c2)OCO3)=O)c2ccc3c(c2)OCO3)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7549 |
| logD: | 2.7532 |
| logSw: | -3.0198 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.712 |
| InChI Key: | RQQKQGQFEXWABZ-UHFFFAOYSA-N |