ethyl 2-anilino-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4302-2339 |
| Compound Name: | ethyl 2-anilino-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 397.51 |
| Molecular Formula: | C21 H19 N O3 S2 |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/c2ccc(cc2)SC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.51 |
| logD: | 5.4985 |
| logSw: | -5.5389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.117 |
| InChI Key: | BUIURRTXHXQZTL-UHFFFAOYSA-N |