 Home > Encyclopedia > 13-benzylsulfanyl-8-phenyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

13-benzylsulfanyl-8-phenyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

13-benzylsulfanyl-8-phenyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene structure

CAS No:
552841-19-7
Formula:
C26H21N3S2
Chemical Name:
13-benzylsulfanyl-8-phenyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene
Synonyms:
ZINC9281745;STK721260;AKOS005529950;MCULE-2715964134;552841-19-7;8-(benzylsulfanyl)-5-phenyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

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13-benzylsulfanyl-8-phenyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene Basic Attributes

Molecular Weight：

439.6 g/mol

Exact Mass：

439.11769003 g/mol

Characteristics

PSA：

92.2 Å²

Computed Properties

Molecular Weight:439.6
XLogP3:7.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:439.11769003
Monoisotopic Mass:439.11769003
Topological Polar Surface Area:92.2
Heavy Atom Count:31
Complexity:591
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 13-benzylsulfanyl-8-phenyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

Basic Attributes
Characteristics
Computed Properties

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