methyl 4-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-0699 |
| Compound Name: | methyl 4-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 484.47 |
| Molecular Formula: | C26 H23 F3 N2 O4 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3ccccc3C(F)(F)F)c2C)C(N1Cc1ccco1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4518 |
| logD: | 4.4518 |
| logSw: | -4.5068 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.223 |
| InChI Key: | ZKNUVYNBLDDDAP-UHFFFAOYSA-N |