AC1NPKH0 structure

AC1NPKH0

2-benzyl-9-bromo-6-[4-(2-hydroxyethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone

Also Known As: DAP1_026174|2-benzyl-9-bromo-6-[4-(2-hydroxyethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone|2-Benzyl-9-bromo-6-[4-(2-hydroxyethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone

CAS: 6079-36-3
Molecular Formula C31H26BrNO6
Molecular Weight 587.09436 g/mol
LogP 4.0199
Topological Polar Surface Area 100.98 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 587.09436
Monoisotopic Mass 587.09436
Heavy Atoms 39
Complexity 1472.1566

Chemical Identifiers

CAS Number 6079-36-3
SMILES C1C=C2C(CC3=C(C2C4=CC=C(C=C4)OCCO)C(=O)C=C(C3=O)Br)C5C1C(=O)N(C5=O)CC6=CC=CC=C6

Product Overview

AC1NPKH0 (CAS 6079-36-3), with molecular formula C31H26BrNO6 and molecular weight 587.09436 g/mol. IUPAC: 2-benzyl-9-bromo-6-[4-(2-hydroxyethoxy)phenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone.

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