6-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methylbenzoyl)-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-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
6-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Compound characteristics
| Compound ID: | 8010-3349 |
| Compound Name: | 6-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C25 H25 N O7 |
| Smiles: | Cc1ccc(cc1)C(C1C(c2ccc3c(c2)OCO3)N(CCCCCC(O)=O)C(C=1O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2678 |
| logD: | 0.4396 |
| logSw: | -3.0829 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.576 |
| InChI Key: | GTFQJDBSGZCHIW-QFIPXVFZSA-N |