(2R,3S,3aS)-3-benzoyl-2-(4-chlorophenyl)-3,3a-dihydropyrrolo[1,2-a]quinoline-1,1(2H)-dicarbonitrile
Chemical Structure Depiction of
(2R,3S,3aS)-3-benzoyl-2-(4-chlorophenyl)-3,3a-dihydropyrrolo[1,2-a]quinoline-1,1(2H)-dicarbonitrile
(2R,3S,3aS)-3-benzoyl-2-(4-chlorophenyl)-3,3a-dihydropyrrolo[1,2-a]quinoline-1,1(2H)-dicarbonitrile
Compound characteristics
| Compound ID: | Y508-0522 |
| Compound Name: | (2R,3S,3aS)-3-benzoyl-2-(4-chlorophenyl)-3,3a-dihydropyrrolo[1,2-a]quinoline-1,1(2H)-dicarbonitrile |
| Molecular Weight: | 435.91 |
| Molecular Formula: | C27 H18 Cl N3 O |
| Smiles: | [H][C@@]1(C(c2ccccc2)=O)[C@]2([H])C=Cc3ccccc3N2[C@@](C#N)(C#N)[C@@]1([H])c1ccc(cc1)[Cl] |
| Stereo: | ABSOLUTE |
| logP: | 5.7114 |
| logD: | 5.7112 |
| logSw: | -6.2427 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.959 |
| InChI Key: | GALYBOBKSUAVHA-SDHSZQHLSA-N |