Agn-PC-0loe4S structure

Agn-PC-0loe4S

2-benzyl-6a-(4-chlorophenyl)-6-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-8-(4-fluoroanilino)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone

Also Known As: AGN-PC-0LOE4S|DAP1_013444|2-Benzyl-6a-(4-chlorophenyl)-6-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-8-(4-fluoroanilino)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone

CAS: 6066-63-3
Molecular Formula C40H31Br2ClFN3O6
Molecular Weight 861.0252 g/mol
LogP 7.9034
Topological Polar Surface Area 116.25 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 861.0252
Monoisotopic Mass 863.0232
Heavy Atoms 53
Complexity 2220.2095

Chemical Identifiers

CAS Number 6066-63-3
SMILES COC1=C(C(=C(C(=C1)C2C3=CCC4C(C3CC5C2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CC8=CC=CC=C8)Br)Br)O

Product Overview

Agn-PC-0loe4S (CAS 6066-63-3), with molecular formula C40H31Br2ClFN3O6 and molecular weight 861.0252 g/mol. IUPAC: 2-benzyl-6a-(4-chlorophenyl)-6-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-8-(4-fluoroanilino)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone.

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