methyl 5-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2959 |
| Compound Name: | methyl 5-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 295.7 |
| Molecular Formula: | C14 H11 Cl F N O3 |
| Smiles: | CC1=C(C(/C(=C\c2c(cccc2[Cl])F)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7695 |
| logD: | 1.2915 |
| logSw: | -3.4336 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.484 |
| InChI Key: | WRVBHGAUJCHBJI-UHFFFAOYSA-N |