methyl 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2983 |
| Compound Name: | methyl 5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 404.39 |
| Molecular Formula: | C21 H19 F3 N2 O3 |
| Smiles: | CC1=C(C(/C(=C/c2cc(C)n(c3ccccc3C(F)(F)F)c2C)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8428 |
| logD: | 3.7764 |
| logSw: | -4.1873 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.848 |
| InChI Key: | CUVOUHXXDTVHJD-UHFFFAOYSA-N |