AC1N69IS structure

AC1N69IS

N-(2-chloro-4,6-dimethylphenyl)-2-[[3-(furan-2-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide

Also Known As: N-(2-chloro-4,6-dimethylphenyl)-2-((3-(furan-2-ylmethyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide|N-(2-chloro-4,6-dimethylphenyl)-2-[[3-(furan-2-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide|N-(2-chloro-4,6-dimethylphenyl)-2-[3-(2-furylmethyl)-4-oxo(3,5,6,7,8-pentahydr obenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide|N-(2-chloro-4,6-dimethylphenyl)-2-{[3-(furan-2-ylmethyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide|N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide

CAS: 577763-74-7
Molecular Formula C25H24ClN3O3S2
Molecular Weight 513.0948 g/mol
LogP 5.97914
Topological Polar Surface Area 77.13 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 513.0948
Monoisotopic Mass 513.0948
Heavy Atoms 34
Complexity 1417.1246

Chemical Identifiers

CAS Number 577763-74-7
SMILES CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CO5)C

Product Overview

AC1N69IS (CAS 577763-74-7), with molecular formula C25H24ClN3O3S2 and molecular weight 513.0948 g/mol. IUPAC: N-(2-chloro-4,6-dimethylphenyl)-2-[[3-(furan-2-ylmethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.

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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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