ethyl 5-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5492-3839 |
| Compound Name: | ethyl 5-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 453.51 |
| Molecular Formula: | C24 H23 N O6 S |
| Smiles: | CCOC(C1=C(Nc2ccc(C)cc2)SC(=C/c2ccc(c(c2)OC)OC(C)=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9179 |
| logD: | 4.9027 |
| logSw: | -4.709 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.585 |
| InChI Key: | XKFGCPCZBBBJRO-UHFFFAOYSA-N |