AC1L7EWF

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

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

Molecular Formula	C22H30FN5O7S2
Molecular Weight	559.15704 g/mol
LogP	2.2723
Topological Polar Surface Area	204.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	559.15704
Monoisotopic Mass	559.15704
Heavy Atoms	37
Complexity	872.0

Chemical Identifiers

CAS Number	20110-89-8
SMILES	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)S(=O)(=O)F)N)N)C
InChIKey	HWVLFLYSUYNVHO-UHFFFAOYSA-N