rel-(2R,3R,10bS)-2-(3,4-dichlorophenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,10bS)-2-(3,4-dichlorophenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R,10bS)-2-(3,4-dichlorophenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-8602 |
| Compound Name: | rel-(2R,3R,10bS)-2-(3,4-dichlorophenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 450.37 |
| Molecular Formula: | C25 H21 Cl2 N3 O |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(C(C)(C)C)=O)[C@H](c2ccc(c(c2)[Cl])[Cl])C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.8762 |
| logD: | 5.3006 |
| logSw: | -6.1749 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.056 |
| InChI Key: | XVERWQSDAAZUSZ-FSSWDIPSSA-N |