methyl 1-(2-methoxyethyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(2-methoxyethyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-(2-methoxyethyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2865 |
| Compound Name: | methyl 1-(2-methoxyethyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C18 H21 N O4 S |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)SC)C(N1CCOC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.784 |
| logD: | 2.784 |
| logSw: | -2.9794 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.703 |
| InChI Key: | IJHCWRHXGLOSAT-UHFFFAOYSA-N |