methyl 1-(4-ethoxyphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(4-ethoxyphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-(4-ethoxyphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2896 |
| Compound Name: | methyl 1-(4-ethoxyphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C23 H23 N O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(C)=C(/C(=C/c2ccc(cc2)SC)C1=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4583 |
| logD: | 4.4583 |
| logSw: | -4.2639 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.623 |
| InChI Key: | SCYWBRVAWMGNSM-UHFFFAOYSA-N |