methyl 2-(3,4-dimethoxyanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3,4-dimethoxyanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3,4-dimethoxyanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V014-7563 |
| Compound Name: | methyl 2-(3,4-dimethoxyanilino)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C23 H24 N2 O5 S |
| Salt: | not_available |
| Smiles: | CN(C)c1ccc(\C=C2/C(C(=C(Nc3ccc(c(c3)OC)OC)S2)C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0351 |
| logD: | 3.8471 |
| logSw: | -4.2022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.603 |
| InChI Key: | JUBWOBDZKHMHFS-UHFFFAOYSA-N |