5-(2H-1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
5-(2H-1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7416 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[2-(pyrrolidin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C26 H26 N2 O7 |
| Smiles: | C1CCN(C1)CCN1C(C(=C(C1=O)O)C(c1ccc2c(c1)OCCO2)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1288 |
| logD: | 0.7286 |
| logSw: | -2.7221 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.092 |
| InChI Key: | YYOSZJYQYHKGEW-QHCPKHFHSA-N |