AC1MX48Q structure

AC1MX48Q

3-[(2,6-dichlorophenyl)methylsulfanyl]-12-ethyl-12-methyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

Also Known As: 4-((2,6-dichlorobenzyl)thio)-6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine|4-[(2,6-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

CAS: 799791-63-2
Molecular Formula C20H20Cl2N2OS3
Molecular Weight 470.01147 g/mol
LogP 7.2537
Topological Polar Surface Area 35.01 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 470.01147
Monoisotopic Mass 470.01147
Heavy Atoms 28
Complexity 1019.703

Chemical Identifiers

CAS Number 799791-63-2
SMILES CCC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)SCC4=C(C=CC=C4Cl)Cl)C

Product Overview

AC1MX48Q (CAS 799791-63-2), with molecular formula C20H20Cl2N2OS3 and molecular weight 470.01147 g/mol. IUPAC: 3-[(2,6-dichlorophenyl)methylsulfanyl]-12-ethyl-12-methyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.

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