3-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
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![3-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bb73354fbff14ca7ac3b15b141bab406.png "3-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid")
3-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
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CAS No:
25313-08-0
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Formula:
C22H29ClFN7O7S2
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Chemical Name:
3-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
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Synonyms:
25313-08-0;NSC121520;DTXSID70298215;NSC-121520;Ethanesulfonic acid--3-[({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]ethyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)
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CAS No:
3-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid Basic Attributes
622.1 g/mol
621.1242445 g/mol
121520
DTXSID70298215
Computed Properties
Molecular Weight:622.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:621.1242445
Monoisotopic Mass:621.1242445
Topological Polar Surface Area:236
Heavy Atom Count:40
Complexity:1020
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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