rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-8600 |
| Compound Name: | rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C24 H22 N4 O |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(C(C)(C)C)=O)[C@H](c2cccnc2)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2451 |
| logD: | 2.9207 |
| logSw: | -3.0426 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.574 |
| InChI Key: | CMJHQLKXVHAZNX-HKBOAZHASA-N |