rel-(2R,3R,10bS)-3-benzoyl-2-phenyl-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,10bS)-3-benzoyl-2-phenyl-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R,10bS)-3-benzoyl-2-phenyl-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8007-4234 |
| Compound Name: | rel-(2R,3R,10bS)-3-benzoyl-2-phenyl-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C27 H19 N3 O |
| Smiles: | [H][C@]1(c2ccccc2)[C@@](C#N)(C#N)[C@@]2([H])c3ccccc3C=CN2[C@]1([H])C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.4527 |
| logD: | 3.5999 |
| logSw: | -4.5361 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.785 |
| InChI Key: | PPBABPDVOHWTOJ-USZFVNFHSA-N |