(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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![(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5604b7506abd48cd955ea4bd4e4f2a16.png "(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide")
(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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CAS No:
956044-97-6
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Formula:
C28H27F3N4O3
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Chemical Name:
(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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Synonyms:
C28H27F3N4O3;ZINC2093174;STL547910;AKOS030497305;(1R,5R)-8-oxo-N-((S)-1-oxo-3-phenyl-1-((3-(trifluoromethyl)phenyl)amino)propan-2-yl)-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide;(1S,5S)-8-oxo-N-[(2S)-1-oxo-3-phenyl-1-{[3-(trifluoromethyl)phenyl]amino}propan-2-yl]-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide;956044-97-6
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CAS No:
(1S,9S)-6-oxo-N-[(2S)-1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
524.5 g/mol
524.20352522 g/mol
Computed Properties
Molecular Weight:524.5
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:524.20352522
Monoisotopic Mass:524.20352522
Topological Polar Surface Area:81.8
Heavy Atom Count:38
Complexity:975
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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