AC1L5UP1

2-chloro-3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid

Also Known As: ethanesulfonic acid- 2-chloro-3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}benzenesulfonyl fluoride(1:1)|2-chloro-3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-tria|2-chloro-3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride|2-chloro-3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride; ethanesulfonic acid|Ethanesulfonic acid--2-chloro-3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl}benzene-1-sulfonyl fluoride (1/1)|Ethanesulfonic acid-2-chloro-3-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenoxy]methyl}benzenesulfonyl fluoride(1:1)

Molecular Formula	C20H24Cl2FN5O6S2
Molecular Weight	583.0529 g/mol
LogP	3.3102
Topological Polar Surface Area	195.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	583.0529
Monoisotopic Mass	583.0529
Heavy Atoms	36
Complexity	909.0

Chemical Identifiers

CAS Number	312-28-7
SMILES	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=C(C(=CC=C3)S(=O)(=O)F)Cl)Cl)N)N)C
InChIKey	YBPZFIWCKZONGS-UHFFFAOYSA-N