methyl 2-(4-chloroanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-chloroanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-chloroanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-3072 |
| Compound Name: | methyl 2-(4-chloroanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 374.84 |
| Molecular Formula: | C18 H15 Cl N2 O3 S |
| Salt: | not_available |
| Smiles: | Cn1cccc1\C=C1/C(C(=C(Nc2ccc(cc2)[Cl])S1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6052 |
| logD: | 4.1607 |
| logSw: | -4.8188 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.435 |
| InChI Key: | PILCPNLUVPOSHW-UHFFFAOYSA-N |