5-(4,7-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-(4,7-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-(4,7-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: | 8020-7237 |
| Compound Name: | 5-(4,7-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(c2cc(c3c(c2OC)OCO3)OC)N(CCN2CCCC2)C(C=1O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2531 |
| logD: | 0.8529 |
| logSw: | -2.967 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.246 |
| InChI Key: | AZXASKBGEKFQKS-QFIPXVFZSA-N |