 Home > Encyclopedia > 5-butylsulfanyl-7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

5-butylsulfanyl-7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

5-butylsulfanyl-7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene structure

CAS No:
488088-17-1
Formula:
C21H22N4S2
Chemical Name:
5-butylsulfanyl-7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Synonyms:
ZINC2325193;STK720318;AKOS005529041;MCULE-5027545708;3-(butylsulfanyl)-5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine;488088-17-1

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5-butylsulfanyl-7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene Basic Attributes

Molecular Weight：

394.6 g/mol

Exact Mass：

394.12858907 g/mol

Characteristics

PSA：

96.6 Å²

Computed Properties

Molecular Weight:394.6
XLogP3:6.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:394.12858907
Monoisotopic Mass:394.12858907
Topological Polar Surface Area:96.6
Heavy Atom Count:27
Complexity:501
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-butylsulfanyl-7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

Basic Attributes
Characteristics
Computed Properties

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