ethyl 2-(3-chloroanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-chloroanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3-chloroanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0191 |
| Compound Name: | ethyl 2-(3-chloroanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C22 H21 Cl N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)[Cl])SC(=C/c2ccc(cc2)N(C)C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.826 |
| logD: | 5.343 |
| logSw: | -6.1409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.922 |
| InChI Key: | QYAONVVOVFISFJ-UHFFFAOYSA-N |