methyl 5-({1-[2-(methoxycarbonyl)phenyl]-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-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-3391 |
| Compound Name: | methyl 5-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | CC1=C(C(/C(=C\c2cc(C)n(c3ccccc3C(=O)OC)c2C)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9867 |
| logD: | 2.9202 |
| logSw: | -3.644 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.022 |
| InChI Key: | QMRNXDPOQSOGCS-UHFFFAOYSA-N |