rel-(1R,2R,3aS)-7-chloro-2-phenyl-1-(thiophene-3-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-7-chloro-2-phenyl-1-(thiophene-3-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-7-chloro-2-phenyl-1-(thiophene-3-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-4489 |
| Compound Name: | rel-(1R,2R,3aS)-7-chloro-2-phenyl-1-(thiophene-3-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 441.94 |
| Molecular Formula: | C25 H16 Cl N3 O S |
| Smiles: | [H][C@@]12C=Cc3cc(ccc3N2[C@H](C(c2ccsc2)=O)[C@@H](c2ccccc2)C1(C#N)C#N)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.5488 |
| logD: | 5.4081 |
| logSw: | -6.139 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.83 |
| InChI Key: | UBBBVGJLBBETIZ-VABKMULXSA-N |