3-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
Chemical Structure Depiction of
3-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
3-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
Compound characteristics
| Compound ID: | 8010-9403 |
| Compound Name: | 3-[2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid |
| Molecular Weight: | 409.39 |
| Molecular Formula: | C22 H19 N O7 |
| Smiles: | Cc1ccc(cc1)C(C1C(c2ccc3c(c2)OCO3)N(CCC(O)=O)C(C=1O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0675 |
| logD: | -0.6282 |
| logSw: | -2.6327 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.576 |
| InChI Key: | RSXRLRXBDNQTMY-IBGZPJMESA-N |