2-[[7-(4-methoxyphenyl)-11,11-dimethyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
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![2-[[7-(4-methoxyphenyl)-11,11-dimethyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/96e5114123e24ed7a15ddcfa9c05bc6f.png "2-[[7-(4-methoxyphenyl)-11,11-dimethyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide")
2-[[7-(4-methoxyphenyl)-11,11-dimethyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
structure -
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CAS No:
586990-19-4
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Formula:
C26H24F3N5O3S
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Chemical Name:
2-[[7-(4-methoxyphenyl)-11,11-dimethyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
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Synonyms:
C26H24F3N5O3S;ZINC2396430;STK558540;AKOS005484494;MCULE-6314268934;2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide;586990-19-4
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CAS No:
2-[[7-(4-methoxyphenyl)-11,11-dimethyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide Basic Attributes
543.6 g/mol
543.15519530 g/mol
Computed Properties
Molecular Weight:543.6
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:543.15519530
Monoisotopic Mass:543.15519530
Topological Polar Surface Area:116
Heavy Atom Count:38
Complexity:828
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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