4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7397 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 538.55 |
| Molecular Formula: | C28 H30 N2 O9 |
| Smiles: | COc1c(cc2c(c1OC)OCO2)C1C(=C(C(N1CCN1CCCC1)=O)O)C(c1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9368 |
| logD: | 0.5366 |
| logSw: | -2.7342 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.211 |
| InChI Key: | BQGNPVQGFRIZMG-QFIPXVFZSA-N |