AC1NA4GR structure

AC1NA4GR

5-[(2-chlorophenyl)methylsulfanyl]-7-methylsulfanyl-14-propan-2-yl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

Also Known As: 3-((2-chlorobenzyl)thio)-10-isopropyl-5-(methylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|3-[(2-chlorobenzyl)sulfanyl]-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

CAS: 836633-64-8
Molecular Formula C21H21ClN4OS3
Molecular Weight 476.0566 g/mol
LogP 6.1039
Topological Polar Surface Area 52.31 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 476.0566
Monoisotopic Mass 476.0566
Heavy Atoms 30
Complexity 1236.1688

Chemical Identifiers

CAS Number 836633-64-8
SMILES CC(C)C1CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC5=CC=CC=C5Cl

Product Overview

AC1NA4GR (CAS 836633-64-8), with molecular formula C21H21ClN4OS3 and molecular weight 476.0566 g/mol. IUPAC: 5-[(2-chlorophenyl)methylsulfanyl]-7-methylsulfanyl-14-propan-2-yl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.

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