methyl 4-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-3-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-3-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
methyl 4-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-3-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Compound characteristics
| Compound ID: | F455-0467 |
| Compound Name: | methyl 4-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-3-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C27 H23 N O6 |
| Smiles: | Cc1ccc(cc1)C1C(c2ccc(cc2)C(=O)OC)N(Cc2ccc3c(c2)OCO3)C(C=1O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7065 |
| logD: | 4.7059 |
| logSw: | -4.3919 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.378 |
| InChI Key: | VDNXLFQQLDMGMD-DEOSSOPVSA-N |