(1S,9S)-N-[(2S)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-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)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-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/20220811/2bc3e30344bf4f829c1b30d5aafcf5ea.png "(1S,9S)-N-[(2S)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide")
(1S,9S)-N-[(2S)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
structure -
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CAS No:
956045-01-5
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Formula:
C27H27FN4O3
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Chemical Name:
(1S,9S)-N-[(2S)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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Synonyms:
ZINC2093601;STL537659;AKOS030497377;(1R,5R)-N-((S)-1-((4-fluorophenyl)amino)-1-oxo-3-phenylpropan-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)-1-[(4-fluorophenyl)amino]-1-oxo-3-phenylpropan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide;956045-01-5
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CAS No:
(1S,9S)-N-[(2S)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
474.5 g/mol
474.20671890 g/mol
Computed Properties
Molecular Weight:474.5
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:474.20671890
Monoisotopic Mass:474.20671890
Topological Polar Surface Area:81.8
Heavy Atom Count:35
Complexity:876
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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