methyl 4-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5752-2421 |
| Compound Name: | methyl 4-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C29 H29 F N2 O4 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3ccc(cc3)F)c2C)C(N1CCc1ccc(cc1)OC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6995 |
| logD: | 4.6995 |
| logSw: | -4.4605 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.297 |
| InChI Key: | APKYJYNYJLDLSE-UHFFFAOYSA-N |