AC1LUNOX structure

AC1LUNOX

N-[(2-bromophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Also Known As: 3,3'-(sulfanediyldimethanediyl)bis(6-tert-butylphenol)|N-[(2-bromophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide|N-[(2-Bromophenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanehydrazonic acid|N-[(2-Bromophenyl)methylidene][(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanehydrazonic acid

CAS: 6524-40-9
Molecular Formula C25H21BrN4O2S2
Molecular Weight 552.02893 g/mol
LogP 5.3309
Topological Polar Surface Area 76.35 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 552.02893
Monoisotopic Mass 552.02893
Heavy Atoms 34
Complexity 1446.8256

Chemical Identifiers

CAS Number 6524-40-9
SMILES C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NN=CC5=CC=CC=C5Br

Product Overview

AC1LUNOX (CAS 6524-40-9), with molecular formula C25H21BrN4O2S2 and molecular weight 552.02893 g/mol. IUPAC: N-[(2-bromophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.

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