methyl 1-(3,5-dimethylphenyl)-5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(3,5-dimethylphenyl)-5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-(3,5-dimethylphenyl)-5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2735 |
| Compound Name: | methyl 1-(3,5-dimethylphenyl)-5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C25 H25 N O6 |
| Smiles: | CC1=C(C(/C(=C\c2ccc(cc2)OCC(=O)OC)N1c1cc(C)cc(C)c1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0022 |
| logD: | 3.9884 |
| logSw: | -4.1946 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.489 |
| InChI Key: | NYUJVYVEXGRAIS-UHFFFAOYSA-N |