ethyl 2-(2-methylanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-methylanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(2-methylanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-0941 |
| Compound Name: | ethyl 2-(2-methylanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccccc2C)SC(=C\c2cccn2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.637 |
| logD: | 4.6161 |
| logSw: | -4.3124 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.317 |
| InChI Key: | PHDFZURLPBWXKE-UHFFFAOYSA-N |