methyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2262 |
| Compound Name: | methyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 303.31 |
| Molecular Formula: | C16 H17 N O5 |
| Smiles: | CCOc1cc(\C=C2/C(C(=C(C)N2)C(=O)OC)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 2.0627 |
| logD: | 1.9722 |
| logSw: | -2.6966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.243 |
| InChI Key: | NUMSUNXKOQACNK-YRNVUSSQSA-N |