rel-(1R,2R,3aS)-1-acetyl-2-(4-ethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-1-acetyl-2-(4-ethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-1-acetyl-2-(4-ethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1596 |
| Compound Name: | rel-(1R,2R,3aS)-1-acetyl-2-(4-ethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C24 H21 N3 O2 |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(C)=O)[C@@H](c2ccc(cc2)OCC)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9384 |
| logD: | 3.8909 |
| logSw: | -3.9208 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.295 |
| InChI Key: | KUIRFNZKEKEWLU-YTFSRNRJSA-N |