ethyl 2-(3,4-dichloroanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,4-dichloroanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3,4-dichloroanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4923-3347 |
| Compound Name: | ethyl 2-(3,4-dichloroanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 463.38 |
| Molecular Formula: | C22 H20 Cl2 N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(c(c2)[Cl])[Cl])SC(=C/c2ccc(cc2)N(C)C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5468 |
| logD: | 4.4366 |
| logSw: | -6.4509 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.922 |
| InChI Key: | IUMDGBPOBOFJHS-UHFFFAOYSA-N |