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]-N-(4-methylphenyl)acetamide
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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]-N-(4-methylphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/936ab05ce971420caff71de116d4b344.png "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]-N-(4-methylphenyl)acetamide")
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]-N-(4-methylphenyl)acetamide
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CAS No:
843616-09-1
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Formula:
C27H25N5OS3
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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]-N-(4-methylphenyl)acetamide
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Synonyms:
ZINC2415226;STK720397;AKOS005529174;MCULE-6222497270;2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide;843616-09-1
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CAS No:
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]-N-(4-methylphenyl)acetamide Basic Attributes
531.7 g/mol
531.12212396 g/mol
Computed Properties
Molecular Weight:531.7
XLogP3:7.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:531.12212396
Monoisotopic Mass:531.12212396
Topological Polar Surface Area:151
Heavy Atom Count:36
Complexity:747
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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