rel-(1R,2R,3aS)-1-benzoyl-7-nitro-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-1-benzoyl-7-nitro-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-1-benzoyl-7-nitro-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-4392 |
| Compound Name: | rel-(1R,2R,3aS)-1-benzoyl-7-nitro-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C27 H18 N4 O3 |
| Smiles: | [H][C@@]12C=Cc3cc(ccc3N2[C@H](C(c2ccccc2)=O)[C@@H](c2ccccc2)C1(C#N)C#N)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.9712 |
| logD: | 4.8441 |
| logSw: | -4.9504 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 83.193 |
| InChI Key: | YGLFAXTULYVLRE-SDHOMARFSA-N |