methyl 5-{[1-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-0517 |
| Compound Name: | methyl 5-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C21 H21 Cl N2 O4 |
| Smiles: | CC1=C(C(/C(=C\c2cc(C)n(c3ccc(c(c3)[Cl])OC)c2C)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.578 |
| logD: | 3.5115 |
| logSw: | -3.8571 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.78 |
| InChI Key: | AFPHSPMWFPKQBW-UHFFFAOYSA-N |