AC1NYWY3 structure

AC1NYWY3

11-[(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Also Known As: 11-[(5Z)-5-(5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid|(Z)-11-(5-(5-bromo-1-methyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid|11-[(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

CAS: 374104-08-2
Molecular Formula C23H27BrN2O4S2
Molecular Weight 538.0596 g/mol
LogP 5.5924
Topological Polar Surface Area 77.92 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 11
Exact Mass 538.0596
Monoisotopic Mass 538.0596
Heavy Atoms 32
Complexity 963.3148

Chemical Identifiers

CAS Number 374104-08-2
SMILES CN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)/C1=O

Product Overview

AC1NYWY3 (CAS 374104-08-2), with molecular formula C23H27BrN2O4S2 and molecular weight 538.0596 g/mol. IUPAC: 11-[(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid.

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