AC1LY6BZ structure

AC1LY6BZ

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

Also Known As: 2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide|2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide|2-[3-(4-methylphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)]-N-(4-sulfamoylphenyl)acetamide|2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide|2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide|N-[4-(AMINOSULFONYL)PHENYL]-2-{[3-(4-METHYLPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETAMIDE

CAS: 613251-49-3
Molecular Formula C25H24N4O4S3
Molecular Weight 540.09595 g/mol
LogP 4.01262
Topological Polar Surface Area 124.15 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 540.09595
Monoisotopic Mass 540.09595
Heavy Atoms 36
Complexity 1623.3296

Chemical Identifiers

CAS Number 613251-49-3
SMILES CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N)SC5=C3CCCC5

Product Overview

AC1LY6BZ (CAS 613251-49-3), with molecular formula C25H24N4O4S3 and molecular weight 540.09595 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)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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