7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene-5-thione
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7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene-5-thione
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CAS No:
585556-26-9
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Formula:
C19H18N4OS3
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Chemical Name:
7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene-5-thione
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Synonyms:
ZINC5862425;STK720329;AKOS005529194;MCULE-7408128608;5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol;585556-26-9
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CAS No:
7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene-5-thione Basic Attributes
414.6 g/mol
414.06427473 g/mol
Computed Properties
Molecular Weight:414.6
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:414.06427473
Monoisotopic Mass:414.06427473
Topological Polar Surface Area:135
Heavy Atom Count:27
Complexity:688
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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