2-[(7-benzyl-12,12-dimethyl-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetamide
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![2-[(7-benzyl-12,12-dimethyl-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/755f3528df094ccd88153134e1a631ad.png "2-[(7-benzyl-12,12-dimethyl-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetamide")
2-[(7-benzyl-12,12-dimethyl-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetamide
structure -
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CAS No:
306740-14-7
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Formula:
C21H21N5O3S2
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Chemical Name:
2-[(7-benzyl-12,12-dimethyl-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetamide
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Synonyms:
ZINC2274537;STK699028;AKOS005521632;MCULE-3543438805;2-[(4-benzyl-7,7-dimethyl-5-oxo-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide;306740-14-7
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CAS No:
2-[(7-benzyl-12,12-dimethyl-8-oxo-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetamide Basic Attributes
455.6 g/mol
455.10858190 g/mol
Computed Properties
Molecular Weight:455.6
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:455.10858190
Monoisotopic Mass:455.10858190
Topological Polar Surface Area:157
Heavy Atom Count:31
Complexity:719
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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