4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
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![4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/084ea80175ad4bc19028010f7ea76bd6.png "4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid")
4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
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CAS No:
21316-39-2
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Formula:
C29H35FN6O6S2
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Chemical Name:
4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
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Synonyms:
21316-39-2;NSC211148;DTXSID80309109;NSC-211148;Ethanesulfonic acid--4-{3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-2-(3-methylphenyl)propanamido}benzene-1-sulfonyl fluoride (1/1)
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CAS No:
4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid Basic Attributes
646.8 g/mol
646.20435337 g/mol
211148
DTXSID80309109
Computed Properties
Molecular Weight:646.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:646.20435337
Monoisotopic Mass:646.20435337
Topological Polar Surface Area:214
Heavy Atom Count:44
Complexity:1120
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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