ethyl 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
ethyl 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
ethyl 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: | 5072-3390 |
| Compound Name: | ethyl 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: | 394.47 |
| Molecular Formula: | C23 H26 N2 O4 |
| Smiles: | CCOC(C1=C(C)NC(=C\c2cc(C)n(c3cc(C)ccc3OC)c2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0401 |
| logD: | 3.9736 |
| logSw: | -4.0409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.059 |
| InChI Key: | MRKAISXYINGDGG-UHFFFAOYSA-N |