ethyl 2-(4-chloroanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloroanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-chloroanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3770-0008 |
| Compound Name: | ethyl 2-(4-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(Nc2ccc(cc2)[Cl])SC(=C\c2ccc(cc2)N(C)C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6672 |
| logD: | 5.2374 |
| logSw: | -6.1762 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.922 |
| InChI Key: | UFAZGRBOYYUBNS-UHFFFAOYSA-N |