Agn-PC-0loqmg

6-(5-bromo-2-hydroxyphenyl)-8-(3-chlorophenyl)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone

Also Known As: AGN-PC-0LOQMG|DAP1_014720|6-(5-Bromo-2-hydroxyphenyl)-8-(3-chlorophenyl)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6a-phenyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone

Molecular Formula	C40H31BrClN5O9
Molecular Weight	839.09937 g/mol
LogP	7.0575
Topological Polar Surface Area	184.51 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	839.09937
Monoisotopic Mass	839.09937
Heavy Atoms	56
Complexity	2424.2036

Chemical Identifiers

CAS Number	6067-90-9
SMILES	CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)N(C(=O)C5(C4C6=C(C=CC(=C6)Br)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl)[N+](=O)[O-]