ethyl 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-1302 |
| Compound Name: | ethyl 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C28 H28 N2 O4 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OC)SC(=C/c2cc(C)n(c3ccc(C)cc3)c2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3091 |
| logD: | 6.285 |
| logSw: | -5.4137 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.326 |
| InChI Key: | VDGSQDPZCKFIDF-UHFFFAOYSA-N |