(2R,3R,10bS)-3-benzoyl-8-methoxy-2-[4-(methylsulfanyl)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
(2R,3R,10bS)-3-benzoyl-8-methoxy-2-[4-(methylsulfanyl)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
(2R,3R,10bS)-3-benzoyl-8-methoxy-2-[4-(methylsulfanyl)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | Y508-0975 |
| Compound Name: | (2R,3R,10bS)-3-benzoyl-8-methoxy-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@]12c3ccc(cc3C=CN2[C@@H](C(c2ccccc2)=O)[C@H](c2ccc(cc2)SC)C1(C#N)C#N)OC |
| Stereo: | ABSOLUTE |
| logP: | 5.3622 |
| logD: | 4.5094 |
| logSw: | -5.5227 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.328 |
| InChI Key: | VEDLPEFOHVTTIE-ZRRKCSAHSA-N |