 Home > Encyclopedia > 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]-1-phenylethanone

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]-1-phenylethanone

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]-1-phenylethanone structure

CAS No:
578736-69-3
Formula:
C26H22N4OS3
Chemical Name:
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]-1-phenylethanone
Synonyms:
ZINC2394850;STK720385;AKOS005529297;MCULE-1769357271;2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethanone;578736-69-3

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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]-1-phenylethanone Basic Attributes

Molecular Weight：

502.7 g/mol

Exact Mass：

502.09557486 g/mol

Characteristics

PSA：

139 Å²

Computed Properties

Molecular Weight:502.7
XLogP3:7.7
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:502.09557486
Monoisotopic Mass:502.09557486
Topological Polar Surface Area:139
Heavy Atom Count:34
Complexity:702
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 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]-1-phenylethanone

Basic Attributes
Characteristics
Computed Properties

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