AC1NRB3R structure

AC1NRB3R

1,4-dimethyl-5-[[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(3-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile

Also Known As: 1,4-Dimethyl-5-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-6-(3-methylpiperidin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile|1,4-dimethyl-5-[[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(3-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile

CAS: 7063-31-2
Molecular Formula C26H28N4O2S2
Molecular Weight 492.16537 g/mol
LogP 4.51152
Topological Polar Surface Area 69.34 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 492.16537
Monoisotopic Mass 492.16537
Heavy Atoms 34
Complexity 1287.8496

Chemical Identifiers

CAS Number 7063-31-2
SMILES CC1CCCN(C1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C

Product Overview

AC1NRB3R (CAS 7063-31-2), with molecular formula C26H28N4O2S2 and molecular weight 492.16537 g/mol. IUPAC: 1,4-dimethyl-5-[[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(3-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile.

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