ethyl 1-(4-chlorophenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-chlorophenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
ethyl 1-(4-chlorophenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5283-0142 |
| Compound Name: | ethyl 1-(4-chlorophenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 413.92 |
| Molecular Formula: | C22 H20 Cl N O3 S |
| Smiles: | CCOC(C1/C(=C/c2ccc(cc2)SC)C(N(C=1C)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2564 |
| logD: | 5.2564 |
| logSw: | -5.9358 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.079 |
| InChI Key: | SRBVPCOHJYAVGW-UHFFFAOYSA-N |