methyl 2-anilino-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-anilino-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-anilino-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3770-0113 |
| Compound Name: | methyl 2-anilino-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C21 H20 N2 O3 S |
| Smiles: | CN(C)c1ccc(/C=C2/C(C(=C(Nc3ccccc3)S2)C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3084 |
| logD: | 4.2968 |
| logSw: | -4.3517 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.342 |
| InChI Key: | UTKGPDBGJIOKOB-UHFFFAOYSA-N |