methyl 2-methyl-5-[(5-{[2-(4-methylanilino)(oxo)acetamido]methyl}furan-2-yl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-[(5-{[2-(4-methylanilino)(oxo)acetamido]methyl}furan-2-yl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 2-methyl-5-[(5-{[2-(4-methylanilino)(oxo)acetamido]methyl}furan-2-yl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4299-1860 |
| Compound Name: | methyl 2-methyl-5-[(5-{[2-(4-methylanilino)(oxo)acetamido]methyl}furan-2-yl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C22 H21 N3 O6 |
| Smiles: | CC1=C(C(/C(=C\c2ccc(CNC(C(Nc3ccc(C)cc3)=O)=O)o2)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.866 |
| logD: | 2.8033 |
| logSw: | -3.4679 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.272 |
| InChI Key: | VSQKHZOPAVYLSG-UHFFFAOYSA-N |