5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methoxybenzenesulfonyl fluoride;ethanesulfonic acid
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![5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methoxybenzenesulfonyl fluoride;ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f04de7f3a0074ddb80baabe31b983de0.png "5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methoxybenzenesulfonyl fluoride;ethanesulfonic acid")
5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methoxybenzenesulfonyl fluoride;ethanesulfonic acid
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CAS No:
21321-05-1
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Formula:
C23H31FN6O7S2
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Chemical Name:
5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methoxybenzenesulfonyl fluoride;ethanesulfonic acid
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Synonyms:
21321-05-1;NSC212222;DTXSID20309522;NSC-212222;Ethanesulfonic acid--5-{3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]propanamido}-2-methoxybenzene-1-sulfonyl fluoride (1/1)
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CAS No:
5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methoxybenzenesulfonyl fluoride;ethanesulfonic acid Basic Attributes
586.7 g/mol
586.16796786 g/mol
212222
DTXSID20309522
Computed Properties
Molecular Weight:586.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:586.16796786
Monoisotopic Mass:586.16796786
Topological Polar Surface Area:224
Heavy Atom Count:39
Complexity:985
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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