rel-(2R,3R,12aS)-3-benzoyl-2-(3-iodophenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,12aS)-3-benzoyl-2-(3-iodophenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
rel-(2R,3R,12aS)-3-benzoyl-2-(3-iodophenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1557 |
| Compound Name: | rel-(2R,3R,12aS)-3-benzoyl-2-(3-iodophenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile |
| Molecular Weight: | 577.42 |
| Molecular Formula: | C31 H20 I N3 O |
| Smiles: | [H][C@@]12C=Cc3c(ccc4ccccc34)N2[C@H](C(c2ccccc2)=O)[C@@H](c2cccc(c2)I)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 7.0425 |
| logD: | 6.93 |
| logSw: | -7.3448 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.54 |
| InChI Key: | IVVPMTNVVFKDNJ-NHKHRBQYSA-N |