4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonic acid
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![4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9931fe8a210148be83b206762f9af887.png "4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonic acid")
4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonic acid
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CAS No:
28321-30-4
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Formula:
C21H26N6O4S
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Chemical Name:
4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonic acid
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Synonyms:
28321-30-4;NSC135759;DTXSID90300268;ZINC16952806;NSC-135759;4-(3-(4-(4,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)-2-methylbenzenesulfonic acid;4-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)-2-methylbenzenesulfonic acid;4-{3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]propanamido}-2-methylbenzene-1-sulfonic acid
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CAS No:
4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonic acid Basic Attributes
458.5 g/mol
458.17362451 g/mol
135759
DTXSID90300268
Computed Properties
Molecular Weight:458.5
XLogP3:0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:458.17362451
Monoisotopic Mass:458.17362451
Topological Polar Surface Area:172
Heavy Atom Count:32
Complexity:858
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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