rel-(1R,2S,3aS)-1-benzoyl-2-(2,5-dimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2S,3aS)-1-benzoyl-2-(2,5-dimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2S,3aS)-1-benzoyl-2-(2,5-dimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1388 |
| Compound Name: | rel-(1R,2S,3aS)-1-benzoyl-2-(2,5-dimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C29 H23 N3 O3 |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(c2ccccc2)=O)[C@@H](c2cc(ccc2OC)OC)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0694 |
| logD: | 4.9423 |
| logSw: | -4.8251 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.986 |
| InChI Key: | OYNDJUQDHIVXHC-VJGNERBWSA-N |