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-(2-phenylethyl)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-(2-phenylethyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f79b777c449b465fab0904f692662fef.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-(2-phenylethyl)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-(2-phenylethyl)acetamide
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CAS No:
842963-48-8
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Formula:
C28H27N5OS3
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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-(2-phenylethyl)acetamide
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Synonyms:
C28H27N5OS3;ZINC2403571;STK720399;AKOS005529200;MCULE-6148174783;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-(2-phenylethyl)acetamide;842963-48-8
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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-(2-phenylethyl)acetamide Basic Attributes
545.7 g/mol
545.13777402 g/mol
Computed Properties
Molecular Weight:545.7
XLogP3:7.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:545.13777402
Monoisotopic Mass:545.13777402
Topological Polar Surface Area:151
Heavy Atom Count:37
Complexity:749
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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