4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4,7-dimethoxy-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-(4,7-dimethoxy-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-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7166 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 511.48 |
| Molecular Formula: | C26 H25 N O10 |
| Smiles: | COc1cc(C2C(=C(C(N2CC2CCCO2)=O)O)C(c2ccc3c(c2)OCO3)=O)c(c2c1OCO2)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3168 |
| logD: | 2.3151 |
| logSw: | -3.0104 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.428 |
| InChI Key: | JBCKALSKSCWBLU-UHFFFAOYSA-N |