rel-(2R,3R,10bS)-3-benzoyl-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,10bS)-3-benzoyl-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R,10bS)-3-benzoyl-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8007-4235 |
| Compound Name: | rel-(2R,3R,10bS)-3-benzoyl-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C26 H18 N4 O |
| Smiles: | [H][C@]1(c2cccnc2)[C@@](C#N)(C#N)[C@@]2([H])c3ccccc3C=CN2[C@]1([H])C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.29 |
| logD: | 2.7508 |
| logSw: | -3.1414 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.303 |
| InChI Key: | TZOBFGSXBGYAFI-CUYJMHBOSA-N |