AC1NR7FA

(1S,2S,3aR)-7-chloro-2-phenyl-1-(thiophene-3-carbonyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

Also Known As: ChemDiv1_027411|HMS664N21|A1172/0054489|SR-01000513933-1|(1S,2S,3aR)-7-chloro-2-phenyl-1-(3-thienylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile|(1S,2S,3aR)-7-chloro-2-phenyl-1-(thiophen-3-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile|(1S,2S,3aR)-7-chloro-2-phenyl-1-(thiophene-3-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile|(1S,2S,3aR)-7-chloro-2-phenyl-1-(thiophene-3-carbonyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

Molecular Formula	C25H16ClN3OS
Molecular Weight	441.07025 g/mol
LogP	5.68576
Topological Polar Surface Area	67.89 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	441.07025
Monoisotopic Mass	441.07025
Heavy Atoms	31
Complexity	1256.3411

Chemical Identifiers

CAS Number	293728-75-3
SMILES	C1=CC=C(C=C1)[C@@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=C3C=CC(=C4)Cl)C(=O)C5=CSC=C5