methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V018-5887 |
| Compound Name: | methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Salt: | not_available |
| Smiles: | CN(C)c1ccc(\C=C2/C(C(=C(Nc3ccccc3OC)S2)C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5127 |
| logD: | 4.2688 |
| logSw: | -4.3916 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.275 |
| InChI Key: | BXVUZTNHDVRKKK-UHFFFAOYSA-N |