rel-(2R,3R,10bS)-2-(3-bromo-4-fluorophenyl)-1,1-dicyano-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxamide
Chemical Structure Depiction of
rel-(2R,3R,10bS)-2-(3-bromo-4-fluorophenyl)-1,1-dicyano-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxamide
rel-(2R,3R,10bS)-2-(3-bromo-4-fluorophenyl)-1,1-dicyano-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 8001-8210 |
| Compound Name: | rel-(2R,3R,10bS)-2-(3-bromo-4-fluorophenyl)-1,1-dicyano-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxamide |
| Molecular Weight: | 437.27 |
| Molecular Formula: | C21 H14 Br F N4 O |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(N)=O)[C@H](c2ccc(c(c2)[Br])F)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7173 |
| logD: | 2.1417 |
| logSw: | -3.1272 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.377 |
| InChI Key: | JCNJCXBNBMJZCE-QYZOEREBSA-N |