ethyl 2-[(7-benzylsulfanyl-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]acetate
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ethyl 2-[(7-benzylsulfanyl-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]acetate
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CAS No:
578758-04-0
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Formula:
C22H22N4O2S3
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Chemical Name:
ethyl 2-[(7-benzylsulfanyl-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]acetate
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Synonyms:
ZINC2370981;STK720387;AKOS005529325;MCULE-2606062642;578758-04-0;ethyl {[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
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CAS No:
ethyl 2-[(7-benzylsulfanyl-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]acetate Basic Attributes
470.6 g/mol
470.09048948 g/mol
Computed Properties
Molecular Weight:470.6
XLogP3:6.6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:470.09048948
Monoisotopic Mass:470.09048948
Topological Polar Surface Area:148
Heavy Atom Count:31
Complexity:624
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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