rel-(1R,2R,3aS)-2-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-2-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-2-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1961 |
| Compound Name: | rel-(1R,2R,3aS)-2-(4-fluorophenyl)-1-(4-methylbenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C28 H20 F N3 O |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(c2ccc(C)cc2)=O)[C@@H](c2ccc(cc2)F)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.4414 |
| logD: | 5.3143 |
| logSw: | -5.52 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.812 |
| InChI Key: | YBFSTPPEBNMJNU-NXCFDTQHSA-N |