(1S,9S)-N-[(2S)-1-(5-chloro-2,4-dimethoxyanilino)-4-methyl-1-oxopentan-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-(5-chloro-2,4-dimethoxyanilino)-4-methyl-1-oxopentan-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/20220811/4ac3794d76984e2cb2f2c1116c129801.png "(1S,9S)-N-[(2S)-1-(5-chloro-2,4-dimethoxyanilino)-4-methyl-1-oxopentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide")
(1S,9S)-N-[(2S)-1-(5-chloro-2,4-dimethoxyanilino)-4-methyl-1-oxopentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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CAS No:
956048-55-8
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Formula:
C26H33ClN4O5
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Chemical Name:
(1S,9S)-N-[(2S)-1-(5-chloro-2,4-dimethoxyanilino)-4-methyl-1-oxopentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
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Synonyms:
ZINC2130815;STL528750;AKOS032429601;(1R,5R)-N-((S)-1-((5-chloro-2,4-dimethoxyphenyl)amino)-4-methyl-1-oxopentan-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-[(5-chloro-2,4-dimethoxyphenyl)amino]-4-methyl-1-oxopentan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide;956048-55-8
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CAS No:
(1S,9S)-N-[(2S)-1-(5-chloro-2,4-dimethoxyanilino)-4-methyl-1-oxopentan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide Basic Attributes
517.0 g/mol
516.2139479 g/mol
Computed Properties
Molecular Weight:517.0
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:516.2139479
Monoisotopic Mass:516.2139479
Topological Polar Surface Area:100
Heavy Atom Count:36
Complexity:909
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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