methyl 2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2688 |
| Compound Name: | methyl 2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 289.35 |
| Molecular Formula: | C15 H15 N O3 S |
| Smiles: | CC1=C(C(/C(=C\c2ccc(cc2)SC)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0815 |
| logD: | 2.9151 |
| logSw: | -3.3778 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.484 |
| InChI Key: | CKVPSNSPQYOMTG-UHFFFAOYSA-N |