AC1LY02O structure

AC1LY02O

N-(2-methylphenyl)-2-[(7-methylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetamide

Also Known As: 2-((5-(methylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(o-tolyl)acetamide|N-(2-methylphenyl)-2-{[5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide

CAS: 799809-39-5
Molecular Formula C21H21N5OS3
Molecular Weight 455.09082 g/mol
LogP 4.97892
Topological Polar Surface Area 72.18 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 455.09082
Monoisotopic Mass 455.09082
Heavy Atoms 30
Complexity 1262.7295

Chemical Identifiers

CAS Number 799809-39-5
SMILES CC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)CCCC5)SC

Product Overview

AC1LY02O (CAS 799809-39-5), with molecular formula C21H21N5OS3 and molecular weight 455.09082 g/mol. IUPAC: N-(2-methylphenyl)-2-[(7-methylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetamide.

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