AC1NE2J0 structure

AC1NE2J0

2-[(3-amino-12-ethyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide

Also Known As: 2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide|2-((4-amino-6-ethyl-6-methyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromophenyl)acetamide

CAS: 488708-89-0
Molecular Formula C20H21BrN4O2S2
Molecular Weight 492.02893 g/mol
LogP 5.0082
Topological Polar Surface Area 90.13 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 492.02893
Monoisotopic Mass 492.02893
Heavy Atoms 29
Complexity 1070.5236

Chemical Identifiers

CAS Number 488708-89-0
SMILES CCC1(CC2=C(CO1)SC3=NC(=NC(=C23)N)SCC(=O)NC4=CC=C(C=C4)Br)C

Product Overview

AC1NE2J0 (CAS 488708-89-0), with molecular formula C20H21BrN4O2S2 and molecular weight 492.02893 g/mol. IUPAC: 2-[(3-amino-12-ethyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(4-bromophenyl)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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