4-(2H-1,3-benzodioxole-5-carbonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
4-(2H-1,3-benzodioxole-5-carbonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7289 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 547.52 |
| Molecular Formula: | C29 H25 N O10 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(=C(C(N1Cc1ccc2c(c1)OCO2)=O)O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6387 |
| logD: | 3.6352 |
| logSw: | -3.8792 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.036 |
| InChI Key: | KNZPEPMMZFKWEN-VWLOTQADSA-N |