rel-(1R,2R,3aS)-2-([1,1'-biphenyl]-4-yl)-7-chloro-1-(trifluoroacetyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-2-([1,1'-biphenyl]-4-yl)-7-chloro-1-(trifluoroacetyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-2-([1,1'-biphenyl]-4-yl)-7-chloro-1-(trifluoroacetyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-4484 |
| Compound Name: | rel-(1R,2R,3aS)-2-([1,1'-biphenyl]-4-yl)-7-chloro-1-(trifluoroacetyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 503.91 |
| Molecular Formula: | C28 H17 Cl F3 N3 O |
| Smiles: | [H][C@@]12C=Cc3cc(ccc3N2[C@H](C(C(F)(F)F)=O)[C@@H](c2ccc(cc2)c2ccccc2)C1(C#N)C#N)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.5928 |
| logD: | 5.143 |
| logSw: | -6.6337 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.812 |
| InChI Key: | SURRITGOIOIUCH-SDHOMARFSA-N |