methyl 5-[(2,4-dichlorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2,4-dichlorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-[(2,4-dichlorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-0408 |
| Compound Name: | methyl 5-[(2,4-dichlorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 312.15 |
| Molecular Formula: | C14 H11 Cl2 N O3 |
| Smiles: | CC1=C(C(/C(=C\c2ccc(cc2[Cl])[Cl])N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7562 |
| logD: | 3.0868 |
| logSw: | -3.9419 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.484 |
| InChI Key: | ZZQUDQYWQOOWCR-UHFFFAOYSA-N |