rel-(1R,2S,3aS)-1-benzoyl-7-fluoro-2-(2-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2S,3aS)-1-benzoyl-7-fluoro-2-(2-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2S,3aS)-1-benzoyl-7-fluoro-2-(2-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-4394 |
| Compound Name: | rel-(1R,2S,3aS)-1-benzoyl-7-fluoro-2-(2-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C27 H17 F2 N3 O |
| Smiles: | [H][C@@]12C=Cc3cc(ccc3N2[C@H](C(c2ccccc2)=O)[C@@H](c2ccccc2F)C1(C#N)C#N)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2016 |
| logD: | 4.9385 |
| logSw: | -5.4234 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.812 |
| InChI Key: | XWOXPOUXBUXFEU-GVAUOCQISA-N |