rel-(2R,3R,12aS)-3-benzoyl-2-(3-methoxyphenyl)-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-methoxyphenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
rel-(2R,3R,12aS)-3-benzoyl-2-(3-methoxyphenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8005-0381 |
| Compound Name: | rel-(2R,3R,12aS)-3-benzoyl-2-(3-methoxyphenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C32 H23 N3 O2 |
| Smiles: | [H][C@]1(c2cccc(c2)OC)[C@](C#N)(C#N)[C@@]2([H])C=Cc3c(ccc4ccccc34)N2[C@]1([H])C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.0801 |
| logD: | 5.9677 |
| logSw: | -6.9191 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.084 |
| InChI Key: | IXRGUVZGMXKROK-JBOQNHBVSA-N |