(1S,9S)-N-[(2S)-4-methylsulfanyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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![(1S,9S)-N-[(2S)-4-methylsulfanyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/87016b09974a4cba8923e0ea85877628.png "(1S,9S)-N-[(2S)-4-methylsulfanyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide")
(1S,9S)-N-[(2S)-4-methylsulfanyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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CAS No:
956049-31-3
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Formula:
C24H27F3N4O4S
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Chemical Name:
(1S,9S)-N-[(2S)-4-methylsulfanyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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Synonyms:
C24H27F3N4O4S;ZINC2096186;STL540265;AKOS030497962;(1R,5R)-N-((S)-4-(methylthio)-1-oxo-1-((4-(trifluoromethoxy)phenyl)amino)butan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide;(1S,5S)-N-[(2S)-4-(methylsulfanyl)-1-oxo-1-{[4-(trifluoromethoxy)phenyl]amino}butan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide;956049-31-3
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CAS No:
(1S,9S)-N-[(2S)-4-methylsulfanyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
524.6 g/mol
524.17051102 g/mol
Computed Properties
Molecular Weight:524.6
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:524.17051102
Monoisotopic Mass:524.17051102
Topological Polar Surface Area:116
Heavy Atom Count:36
Complexity:904
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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