rel-(2R,3R,10bS)-3-acetyl-2-(4-chlorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,10bS)-3-acetyl-2-(4-chlorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R,10bS)-3-acetyl-2-(4-chlorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8005-2636 |
| Compound Name: | rel-(2R,3R,10bS)-3-acetyl-2-(4-chlorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 373.84 |
| Molecular Formula: | C22 H16 Cl N3 O |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(C)=O)[C@H](c2ccc(cc2)[Cl])C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7286 |
| logD: | 3.1531 |
| logSw: | -4.5658 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.144 |
| InChI Key: | YNXUKJJNRDKGES-NJYVYQBISA-N |