rel-(2R,3R,10bS)-3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,10bS)-3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R,10bS)-3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-4399 |
| Compound Name: | rel-(2R,3R,10bS)-3-(4-fluorobenzoyl)-2-(3-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C27 H17 F2 N3 O |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(c2ccc(cc2)F)=O)[C@H](c2cccc(c2)F)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6739 |
| logD: | 3.8211 |
| logSw: | -4.9336 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.785 |
| InChI Key: | ZCQXDEVYYADLAT-USZFVNFHSA-N |