methyl 5-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-3389 |
| Compound Name: | methyl 5-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C22 H24 N2 O4 |
| Smiles: | CC1=C(C(/C(=C\c2cc(C)n(c3cc(C)ccc3OC)c2C)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4678 |
| logD: | 3.4013 |
| logSw: | -3.695 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.479 |
| InChI Key: | HHFLOSAQDOAIHB-UHFFFAOYSA-N |