methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5283-0161 |
| Compound Name: | methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-{[4-(methylsulfanyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C23 H23 N O4 S |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)SC)C(N1Cc1ccc(cc1)OC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5474 |
| logD: | 4.5474 |
| logSw: | -4.3802 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.654 |
| InChI Key: | JOLYOAAZRIARDX-UHFFFAOYSA-N |