methyl 2-methyl-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 2-methyl-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2145 |
| Compound Name: | methyl 2-methyl-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C17 H19 N O6 |
| Smiles: | CC1=C(C(/C(=C\c2cc(c(c(c2)OC)OC)OC)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.1112 |
| logD: | 2.0639 |
| logSw: | -2.709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.462 |
| InChI Key: | XYIOEQLJPQJWSK-UHFFFAOYSA-N |