methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4257-4191 |
| Compound Name: | methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H23 N O5 S |
| Smiles: | CC1=C(/C(=C/c2cccs2)C(N1CCc1ccc(c(c1)OC)OC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0071 |
| logD: | 3.0071 |
| logSw: | -3.1804 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.368 |
| InChI Key: | BFMAWHZASOBYHU-UHFFFAOYSA-N |