1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7401 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 575.53 |
| Molecular Formula: | C30 H25 N O11 |
| Smiles: | COc1cc(C2C(=C(C(N2Cc2ccc3c(c2)OCO3)=O)O)C(c2ccc3c(c2)OCCO3)=O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.571 |
| logD: | 2.5675 |
| logSw: | -3.049 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.597 |
| InChI Key: | PTUCLTVMMZLCDE-DEOSSOPVSA-N |