ethyl 2-methyl-1-(2-methylpropyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2-methyl-1-(2-methylpropyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
ethyl 2-methyl-1-(2-methylpropyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2913 |
| Compound Name: | ethyl 2-methyl-1-(2-methylpropyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 359.49 |
| Molecular Formula: | C20 H25 N O3 S |
| Smiles: | CCOC(C1/C(=C/c2ccc(cc2)SC)C(N(CC(C)C)C=1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7766 |
| logD: | 4.7766 |
| logSw: | -4.3907 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.962 |
| InChI Key: | GSWRDBIKEHDYFZ-UHFFFAOYSA-N |