(1S,9S)-N-[(2S)-1-(3-chloro-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-(3-chloro-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/20220811/0202c8843a7b426fb65da2d479ace063.png "(1S,9S)-N-[(2S)-1-(3-chloro-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-(3-chloro-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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CAS No:
956624-26-3
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Formula:
C27H26ClFN4O3
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Chemical Name:
(1S,9S)-N-[(2S)-1-(3-chloro-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:
C27H26ClFN4O3;ZINC2094619;STL537158;AKOS030497598;(1R,5R)-N-((S)-1-((3-chloro-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-[(3-chloro-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;956624-26-3
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CAS No:
(1S,9S)-N-[(2S)-1-(3-chloro-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
509.0 g/mol
508.1677466 g/mol
Computed Properties
Molecular Weight:509.0
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:508.1677466
Monoisotopic Mass:508.1677466
Topological Polar Surface Area:81.8
Heavy Atom Count:36
Complexity:921
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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