ethyl 5-{[4-(diethylamino)-2-ethoxyphenyl]methylidene}-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-(diethylamino)-2-ethoxyphenyl]methylidene}-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-{[4-(diethylamino)-2-ethoxyphenyl]methylidene}-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4767-1335 |
| Compound Name: | ethyl 5-{[4-(diethylamino)-2-ethoxyphenyl]methylidene}-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C27 H32 N2 O5 S |
| Smiles: | CCN(CC)c1ccc(/C=C2/C(C(=C(Nc3ccc(cc3)OC)S2)C(=O)OCC)=O)c(c1)OCC |
| Stereo: | ACHIRAL |
| logP: | 6.3719 |
| logD: | 6.3462 |
| logSw: | -5.5241 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.607 |
| InChI Key: | NQSYSVHRWYNYAO-UHFFFAOYSA-N |