AC1M0HLL structure

AC1M0HLL

2-[(3-amino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide

Also Known As: 2-((4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide|2-[(4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide

CAS: 848729-52-2
Molecular Formula C19H21N5OS2
Molecular Weight 399.11874 g/mol
LogP 3.30062
Topological Polar Surface Area 84.14 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 4
Exact Mass 399.11874
Monoisotopic Mass 399.11874
Heavy Atoms 27
Complexity 1016.7478

Chemical Identifiers

CAS Number 848729-52-2
SMILES CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C3C4=C(CN(CC4)C)SC3=N2)N

Product Overview

AC1M0HLL (CAS 848729-52-2), with molecular formula C19H21N5OS2 and molecular weight 399.11874 g/mol. IUPAC: 2-[(3-amino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(3-methylphenyl)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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