ethyl 2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
ethyl 2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-0593 |
| Compound Name: | ethyl 2-methyl-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 303.38 |
| Molecular Formula: | C16 H17 N O3 S |
| Smiles: | CCOC(C1=C(C)NC(=C\c2ccc(cc2)SC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6538 |
| logD: | 3.4876 |
| logSw: | -3.7532 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.064 |
| InChI Key: | RXWPOAVASDUTAK-UHFFFAOYSA-N |