methyl 1-(3,4-dimethylphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(3,4-dimethylphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-(3,4-dimethylphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5283-0184 |
| Compound Name: | methyl 1-(3,4-dimethylphenyl)-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 393.5 |
| Molecular Formula: | C23 H23 N O3 S |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)SC)C(N1c1ccc(C)c(C)c1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2219 |
| logD: | 5.2219 |
| logSw: | -5.182 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.499 |
| InChI Key: | QOFPAQMHMSSQMG-UHFFFAOYSA-N |