methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2867 |
| Compound Name: | methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C19 H21 N O6 |
| Smiles: | CC1=C(/C(=C/c2ccc3c(c2)OCO3)C(N1CCCOC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3347 |
| logD: | 2.3347 |
| logSw: | -2.6828 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.818 |
| InChI Key: | FATGUIBKMGYPLG-UHFFFAOYSA-N |