methyl 1-(3,4-dimethylphenyl)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(3,4-dimethylphenyl)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-(3,4-dimethylphenyl)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4191-4287 |
| Compound Name: | methyl 1-(3,4-dimethylphenyl)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C20 H19 N O3 S |
| Smiles: | CC1=C(C(/C(=C\c2cccs2)N1c1ccc(C)c(C)c1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4781 |
| logD: | 4.4692 |
| logSw: | -4.3925 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.43 |
| InChI Key: | MYKJZECCCZNBFJ-UHFFFAOYSA-N |