methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4257-4193 |
| Compound Name: | methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C25 H27 N O5 S |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)SC)C(N1CCc1ccc(c(c1)OC)OC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1812 |
| logD: | 4.1812 |
| logSw: | -4.3438 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.35 |
| InChI Key: | BQFZTNWEOFCOOG-UHFFFAOYSA-N |