methyl 1-(3,4-dimethoxyphenyl)-4-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(3,4-dimethoxyphenyl)-4-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-(3,4-dimethoxyphenyl)-4-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | 5752-2864 |
Compound Name: | methyl 1-(3,4-dimethoxyphenyl)-4-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
Molecular Weight: | 490.53 |
Molecular Formula: | C28 H27 F N2 O5 |
Smiles: | CC1=C(/C(=C/c2cc(C)n(c3ccccc3F)c2C)C(N1c1ccc(c(c1)OC)OC)=O)C(=O)OC |
Stereo: | ACHIRAL |
logP: | 3.7245 |
logD: | 3.7245 |
logSw: | -4.1738 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.124 |
InChI Key: | JHCUCFLMPWIIMX-UHFFFAOYSA-N |