AC1NRNJJ structure

AC1NRNJJ

5-(4-tert-butylphenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione

Also Known As: 5-(4-tert-butylphenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione|1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy-(8-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)methylidene]-5-(4-tert-butylphenyl)pyrrolidine-2,3-dione|5-(4-tert-Butylphenyl)-1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-[hydroxy(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione

CAS: 7067-40-5
Molecular Formula C32H28ClN5O3S2
Molecular Weight 629.1322 g/mol
LogP 7.36372
Topological Polar Surface Area 100.69 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 6
Exact Mass 629.1322
Monoisotopic Mass 629.1322
Heavy Atoms 43
Complexity 1906.1692

Chemical Identifiers

CAS Number 7067-40-5
SMILES CC1=C(N2C=CC=CC2=N1)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5Cl)C6=CC=C(C=C6)C(C)(C)C)O

Product Overview

AC1NRNJJ (CAS 7067-40-5), with molecular formula C32H28ClN5O3S2 and molecular weight 629.1322 g/mol. IUPAC: 5-(4-tert-butylphenyl)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]pyrrolidine-2,3-dione.

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