ethyl 5-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
ethyl 5-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5079-0870 |
| Compound Name: | ethyl 5-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 315.32 |
| Molecular Formula: | C17 H17 N O5 |
| Smiles: | CCOC(C1=C(C)NC(=C\c2ccc(cc2)C(=O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0252 |
| logD: | 2.859 |
| logSw: | -3.2423 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.238 |
| InChI Key: | ZKVHMKYBUMFSQA-UHFFFAOYSA-N |