methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V018-5865 |
| Compound Name: | methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C22 H22 N2 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC1=C(C(/C(=C\c2ccc(cc2)N(C)C)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9236 |
| logD: | 4.9083 |
| logSw: | -4.5947 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.342 |
| InChI Key: | DAXMWSBXCMQXSS-UHFFFAOYSA-N |