methyl 1-[4-(ethoxycarbonyl)phenyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[4-(ethoxycarbonyl)phenyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-[4-(ethoxycarbonyl)phenyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5618-3370 |
| Compound Name: | methyl 1-[4-(ethoxycarbonyl)phenyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C)=C(/C(=C/c2cccs2)C1=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5167 |
| logD: | 3.5167 |
| logSw: | -3.5502 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.271 |
| InChI Key: | KRICUMJTUDZGOW-UHFFFAOYSA-N |