rel-(1R,2R,3aS)-2-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Chemical Structure Depiction of
rel-(1R,2R,3aS)-2-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Available: 29 mg
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mg
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Compound characteristics

Compound ID: 8009-9540
Compound Name: rel-(1R,2R,3aS)-2-(4-chlorophenyl)-1-(thiophene-2-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=Cc3ccccc3N2[C@H](C(c2cccs2)=O)[C@@H](c2ccc(cc2)[Cl])C1(C#N)C#N
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 5.5204
logD: 4.7171
logSw: -6.2648
Hydrogen bond acceptors count: 4
Polar surface area: 50.83
InChI Key: SPICJYJHSFWNHN-ZRBLBEILSA-N
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