rel-(1R,2S,3aS)-2-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2S,3aS)-2-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2S,3aS)-2-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-8547 |
| Compound Name: | rel-(1R,2S,3aS)-2-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 415.92 |
| Molecular Formula: | C25 H22 Cl N3 O |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(C(C)(C)C)=O)[C@@H](c2ccccc2[Cl])C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.4216 |
| logD: | 5.3861 |
| logSw: | -5.8659 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.083 |
| InChI Key: | IHUQXEDTZYJQAX-BDTNDASRSA-N |