methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(2-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(2-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(2-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V015-5598 |
| Compound Name: | methyl 5-{[4-(dimethylamino)phenyl]methylidene}-2-(2-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 398.45 |
| Molecular Formula: | C21 H19 F N2 O3 S |
| Salt: | not_available |
| Smiles: | CN(C)c1ccc(\C=C2/C(C(=C(Nc3ccccc3F)S2)C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5397 |
| logD: | 4.0525 |
| logSw: | -4.3524 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.644 |
| InChI Key: | SCMLBBLLWUTJBT-UHFFFAOYSA-N |