methyl 4-[(2-hydroxy-3-methoxyphenyl)methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(2-hydroxy-3-methoxyphenyl)methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(2-hydroxy-3-methoxyphenyl)methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-0082 |
| Compound Name: | methyl 4-[(2-hydroxy-3-methoxyphenyl)methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C18 H21 N O6 |
| Smiles: | CC1=C(/C(=C/c2cccc(c2O)OC)C(N1CCOC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6913 |
| logD: | 1.6642 |
| logSw: | -1.8838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.812 |
| InChI Key: | MXWCYRFNKMQVLC-UHFFFAOYSA-N |