2-[[12,12-dimethyl-8-oxo-7-(2-phenylethyl)-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]-N-pyridin-2-ylacetamide
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![2-[[12,12-dimethyl-8-oxo-7-(2-phenylethyl)-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]-N-pyridin-2-ylacetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/12778ce4c1aa4837b161168fb895591e.png "2-[[12,12-dimethyl-8-oxo-7-(2-phenylethyl)-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]-N-pyridin-2-ylacetamide")
2-[[12,12-dimethyl-8-oxo-7-(2-phenylethyl)-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]-N-pyridin-2-ylacetamide
structure -
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CAS No:
488743-86-8
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Formula:
C27H26N6O3S2
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Chemical Name:
2-[[12,12-dimethyl-8-oxo-7-(2-phenylethyl)-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]-N-pyridin-2-ylacetamide
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Synonyms:
ZINC1836531;STK544184;AKOS005473624;MCULE-9403426984;2-{[7,7-dimethyl-5-oxo-4-(2-phenylethyl)-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}-N-(pyridin-2-yl)acetamide;488743-86-8
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CAS No:
2-[[12,12-dimethyl-8-oxo-7-(2-phenylethyl)-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]-N-pyridin-2-ylacetamide Basic Attributes
546.7 g/mol
546.15078106 g/mol
Computed Properties
Molecular Weight:546.7
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:546.15078106
Monoisotopic Mass:546.15078106
Topological Polar Surface Area:156
Heavy Atom Count:38
Complexity:874
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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