rel-(2R,3S,12aR)-3-benzoyl-2-(2-fluorophenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3S,12aR)-3-benzoyl-2-(2-fluorophenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
rel-(2R,3S,12aR)-3-benzoyl-2-(2-fluorophenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8005-0377 |
| Compound Name: | rel-(2R,3S,12aR)-3-benzoyl-2-(2-fluorophenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C31 H20 F N3 O |
| Smiles: | [H][C@@]1(C(c2ccccc2)=O)[C@@]([H])(c2ccccc2F)[C@@](C#N)(C#N)[C@@]2([H])C=Cc3c(ccc4ccccc34)N12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.1958 |
| logD: | 6.0834 |
| logSw: | -7.1191 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.54 |
| InChI Key: | KSXCJDGUBNRPFT-NHKHRBQYSA-N |