5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-4-(3-methoxybenzoyl)-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-4-(3-methoxybenzoyl)-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-4-(3-methoxybenzoyl)-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7145 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-4-(3-methoxybenzoyl)-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C24 H23 N O7 |
| Smiles: | COc1cccc(c1)C(C1C(c2ccc3c(c2)OCO3)N(CC2CCCO2)C(C=1O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8947 |
| logD: | 2.893 |
| logSw: | -3.044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.14 |
| InChI Key: | IPQJFEYXQULYNQ-UHFFFAOYSA-N |