 Home > Encyclopedia > 2-[(7-butylsulfanyl-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]ethanol

2-[(7-butylsulfanyl-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]ethanol

2-[(7-butylsulfanyl-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]ethanol structure

CAS No:
850190-08-8
Formula:
C17H22N4OS3
Chemical Name:
2-[(7-butylsulfanyl-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]ethanol
Synonyms:
ZINC2238615;STK940604;AKOS005669130;MCULE-7386162403;2-{[5-(butylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethanol;850190-08-8

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2-[(7-butylsulfanyl-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]ethanol Basic Attributes

Molecular Weight：

394.6 g/mol

Exact Mass：

394.09557486 g/mol

Characteristics

PSA：

142 Å²

Computed Properties

Molecular Weight:394.6
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:394.09557486
Monoisotopic Mass:394.09557486
Topological Polar Surface Area:142
Heavy Atom Count:25
Complexity:446
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(7-butylsulfanyl-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]ethanol

Basic Attributes
Characteristics
Computed Properties

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