AC1N3S6R structure

AC1N3S6R

N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Also Known As: VU0113343-2|F3407-3987|N-(4-methylbenzyl)-4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamide|N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide|N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

CAS: 689762-06-9
Molecular Formula C24H27N3O2S
Molecular Weight 421.1824 g/mol
LogP 4.49031
Topological Polar Surface Area 66.89 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 5
Exact Mass 421.1824
Monoisotopic Mass 421.1824
Heavy Atoms 30
Complexity 1155.5249

Chemical Identifiers

CAS Number 689762-06-9
SMILES CC1=CC=C(C=C1)CNC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

Product Overview

AC1N3S6R (CAS 689762-06-9), with molecular formula C24H27N3O2S and molecular weight 421.1824 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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