ethyl 2-(3,5-dimethylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,5-dimethylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3,5-dimethylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V027-0869 |
| Compound Name: | ethyl 2-(3,5-dimethylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C21 H20 N2 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cc(C)cc(C)c2)SC(=C\c2ccccn2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4956 |
| logD: | 4.4894 |
| logSw: | -4.2302 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.66 |
| InChI Key: | NJVZUWTVLIUOGB-UHFFFAOYSA-N |