ethyl 2-(4-methylanilino)-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-methylanilino)-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-methylanilino)-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3770-0046 |
| Compound Name: | ethyl 2-(4-methylanilino)-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C22 H21 N O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(C)cc2)SC(=C/c2ccc(C)cc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8292 |
| logD: | 5.814 |
| logSw: | -5.5445 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.117 |
| InChI Key: | ZZZBDLZDXNUDAV-UHFFFAOYSA-N |