(3S)-azepan-3-amine

(4E)-4-[[2-[[(E)-[4,5-dioxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Also Known As: (3S)-azepan-3-amine|(4E)-4-[[2-[[(E)-[4,5-dioxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione|2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(5-thioxo-1-(3-(trifluoromethyl)phenyl)-|2,3-Pyrrolidinedione,4,4'-[1,2-ethanediylbis[imino(phenylmethylidyne)]]bis[5-thioxo-1-[3-(trifluoromethyl)phenyl]-

Molecular Formula	C38H24F6N4O4S2
Molecular Weight	778.1143 g/mol
LogP	6.9124
Topological Polar Surface Area	98.82 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	778.1143
Monoisotopic Mass	778.1143
Heavy Atoms	54
Complexity	2128.8987

Chemical Identifiers

CAS Number	107888-01-7
SMILES	C1=CC=C(C=C1)/C(=C/2\C(=S)N(C(=O)C2=O)C3=CC=CC(=C3)C(F)(F)F)/NCCN/C(=C\4/C(=S)N(C(=O)C4=O)C5=CC=CC(=C5)C(F)(F)F)/C6=CC=CC=C6