6-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Chemical Structure Depiction of
6-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
6-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Compound characteristics
| Compound ID: | 3448-2506 |
| Compound Name: | 6-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C25 H25 N O8 |
| Smiles: | COc1ccc(cc1)C(C1C(c2ccc3c(c2)OCO3)N(CCCCCC(O)=O)C(C=1O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8268 |
| logD: | -0.0014 |
| logSw: | -3.1398 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.12 |
| InChI Key: | SWUGBSXLTYZFFF-QFIPXVFZSA-N |