1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-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)-3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1,5-dihydro-2H-pyrrol-2-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7405 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 545.5 |
| Molecular Formula: | C29 H23 N O10 |
| Smiles: | COc1cc(cc2c1OCO2)C1C(=C(C(N1Cc1ccc2c(c1)OCO2)=O)O)C(c1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9267 |
| logD: | 2.9232 |
| logSw: | -3.1673 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.196 |
| InChI Key: | DJVXJUCJUUZLDN-VWLOTQADSA-N |