rel-(2R,3R,10bS)-3-(4-methoxybenzoyl)-2-[4-(methylsulfanyl)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,10bS)-3-(4-methoxybenzoyl)-2-[4-(methylsulfanyl)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R,10bS)-3-(4-methoxybenzoyl)-2-[4-(methylsulfanyl)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8008-1689 |
| Compound Name: | rel-(2R,3R,10bS)-3-(4-methoxybenzoyl)-2-[4-(methylsulfanyl)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C29 H23 N3 O2 S |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(c2ccc(cc2)OC)=O)[C@H](c2ccc(cc2)SC)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2552 |
| logD: | 4.4024 |
| logSw: | -5.188 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.328 |
| InChI Key: | NZRADQQRTGLGJU-PBWSGDRGSA-N |