rel-(2R,3S,10bR)-2-(2-fluorophenyl)-3-(4-methylbenzoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3S,10bR)-2-(2-fluorophenyl)-3-(4-methylbenzoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3S,10bR)-2-(2-fluorophenyl)-3-(4-methylbenzoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1619 |
| Compound Name: | rel-(2R,3S,10bR)-2-(2-fluorophenyl)-3-(4-methylbenzoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C28 H20 F N3 O |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(c2ccc(C)cc2)=O)[C@H](c2ccccc2F)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.1182 |
| logD: | 4.2654 |
| logSw: | -5.0411 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.785 |
| InChI Key: | LATHMBIBTZXTOU-OBDYRVMHSA-N |