5-(2H-1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
5-(2H-1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7415 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C25 H25 N O8 |
| Smiles: | COc1ccc(cc1OC)C(C1C(c2ccc3c(c2)OCO3)N(CC2CCCO2)C(C=1O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4567 |
| logD: | 2.455 |
| logSw: | -2.7288 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.857 |
| InChI Key: | MBVYQVLSNZXCBF-UHFFFAOYSA-N |