rel-(1R,2R,3aS)-2-(3,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-2-(3,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-2-(3,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8007-0171 |
| Compound Name: | rel-(1R,2R,3aS)-2-(3,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C27 H27 N3 O3 |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(C(C)(C)C)=O)[C@@H](c2ccc(c(c2)OC)OC)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5069 |
| logD: | 4.4714 |
| logSw: | -4.4166 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.344 |
| InChI Key: | FUZAFQYOSQBOQA-VXNXHJTFSA-N |