5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7235 |
| Compound Name: | 5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 540.57 |
| Molecular Formula: | C28 H32 N2 O9 |
| Smiles: | COc1ccc(cc1OC)C(C1C(c2cc3c(c(c2OC)OC)OCO3)N(CCN2CCCC2)C(C=1O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4992 |
| logD: | 1.099 |
| logSw: | -3.0064 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.648 |
| InChI Key: | BODUWQAHSZBOPT-QFIPXVFZSA-N |