methyl 4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-0377 |
| Compound Name: | methyl 4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C20 H25 N O5 |
| Smiles: | CCOc1cc(/C=C2/C(=C(C)N(CC(C)C)C2=O)C(=O)OC)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.1855 |
| logD: | 3.183 |
| logSw: | -2.9325 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.14 |
| InChI Key: | RNAPPBTXKQZSPN-UHFFFAOYSA-N |