4-(2H-1,3-benzodioxole-5-carbonyl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
4-(2H-1,3-benzodioxole-5-carbonyl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8020-7170 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-3-hydroxy-1-[(oxolan-2-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 497.5 |
| Molecular Formula: | C26 H27 N O9 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(=C(C(N1CC1CCCO1)=O)O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.524 |
| logD: | 2.5223 |
| logSw: | -2.9368 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.575 |
| InChI Key: | IOQKCPZHNVDIGF-UHFFFAOYSA-N |