3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid
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![3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6647a157d704423c84d3ee3313a7ebd9.png "3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid")
3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid
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CAS No:
21412-55-5
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Formula:
C23H31FN6O7S2
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Chemical Name:
3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid
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Synonyms:
21412-55-5;NSC212248;DTXSID30309533;NSC-212248;Ethanesulfonic acid--3-{3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]propanamido}-4-methoxybenzene-1-sulfonyl fluoride (1/1)
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CAS No:
3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid Basic Attributes
586.7 g/mol
586.16796786 g/mol
212248
DTXSID30309533
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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