N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide
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![N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4310e2bff8324babafae9d505291b14f.png "N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide")
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide
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CAS No:
956741-24-5
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Formula:
C19H18ClN3O6
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Chemical Name:
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide
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Synonyms:
ZINC2637061;AKOS034826806;MCULE-5857672808;SR-01000050294;SR-01000050294-1;Z56967925;(2S)-N-(2H-1,3-benzodioxol-5-yl)-2-[(4-chloro-3-nitrophenyl)formamido]-3-methylbutanamide;956741-24-5
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CAS No:
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Basic Attributes
419.8 g/mol
419.0884130 g/mol
Computed Properties
Molecular Weight:419.8
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:419.0884130
Monoisotopic Mass:419.0884130
Topological Polar Surface Area:123
Heavy Atom Count:29
Complexity:628
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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