methyl 2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaen-5-yl)sulfanyl]acetate
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methyl 2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaen-5-yl)sulfanyl]acetate
structure -
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CAS No:
585556-86-1
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Formula:
C20H18N4O2S3
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Chemical Name:
methyl 2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaen-5-yl)sulfanyl]acetate
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Synonyms:
C20H18N4O2S3;ZINC2383724;STK720422;AKOS005529101;MCULE-6686876325;585556-86-1;methyl {[5-(benzylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
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CAS No:
methyl 2-[(7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaen-5-yl)sulfanyl]acetate Basic Attributes
442.6 g/mol
442.05918935 g/mol
Computed Properties
Molecular Weight:442.6
XLogP3:5.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:442.05918935
Monoisotopic Mass:442.05918935
Topological Polar Surface Area:148
Heavy Atom Count:29
Complexity:594
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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