AC1M2FB7 structure

AC1M2FB7

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

Also Known As: AB00686361-01|(Z)-3-(5-(5-bromo-1-hexyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid|F1673-1923|3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid|3-[(5Z)-5-(5-bromo-1-hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid

CAS: 867136-56-9
Molecular Formula C20H21BrN2O4S2
Molecular Weight 496.0126 g/mol
LogP 4.4221
Topological Polar Surface Area 77.92 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 8
Exact Mass 496.0126
Monoisotopic Mass 496.0126
Heavy Atoms 29
Complexity 915.7423

Chemical Identifiers

CAS Number 867136-56-9
SMILES CCCCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/C1=O

Product Overview

AC1M2FB7 (CAS 867136-56-9), with molecular formula C20H21BrN2O4S2 and molecular weight 496.0126 g/mol. IUPAC: 3-[(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.

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