rel-(1R,2R,3aS)-1-benzoyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-1-benzoyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-1-benzoyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8005-5752 |
| Compound Name: | rel-(1R,2R,3aS)-1-benzoyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C30 H25 N3 O4 |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(c2ccccc2)=O)[C@@H](c2cc(c(c(c2)OC)OC)OC)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5515 |
| logD: | 4.4244 |
| logSw: | -4.4458 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.789 |
| InChI Key: | XJVNJTZWKCYNOX-VJGNERBWSA-N |