methyl 1-(3,5-dimethylphenyl)-2-methyl-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(3,5-dimethylphenyl)-2-methyl-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-(3,5-dimethylphenyl)-2-methyl-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2968 |
| Compound Name: | methyl 1-(3,5-dimethylphenyl)-2-methyl-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C21 H21 N O3 S |
| Smiles: | CC1=C(C(/C(=C\c2c(C)ccs2)N1c1cc(C)cc(C)c1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9501 |
| logD: | 4.9454 |
| logSw: | -4.7396 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.43 |
| InChI Key: | LDQLVYWQTIUMJL-UHFFFAOYSA-N |