4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]sulfanylpropanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
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![4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]sulfanylpropanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9b4108ed03464c33b5885628f2148a61.png "4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]sulfanylpropanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid")
4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]sulfanylpropanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
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CAS No:
30885-77-9
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Formula:
C22H28ClFN6O6S3
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Chemical Name:
4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]sulfanylpropanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
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Synonyms:
30885-77-9;NSC135763;DTXSID00953062;NSC-135763;Ethanesulfonic acid--4-(3-{[2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]sulfanyl}propanamido)benzene-1-sulfonyl fluoride (1/1)
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CAS No:
4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]sulfanylpropanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid Basic Attributes
623.1 g/mol
622.0905020 g/mol
135763
Computed Properties
Molecular Weight:623.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:622.0905020
Monoisotopic Mass:622.0905020
Topological Polar Surface Area:240
Heavy Atom Count:39
Complexity:992
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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