AC1Q6X3L

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

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

Molecular Formula	C23H31ClFN5O5S2
Molecular Weight	575.1439 g/mol
LogP	3.6432
Topological Polar Surface Area	185.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	575.1439
Monoisotopic Mass	575.1439
Heavy Atoms	37
Complexity	895.0

Chemical Identifiers

CAS Number	31368-45-3
SMILES	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)N)N)C
InChIKey	REICZXWVHSJWFK-UHFFFAOYSA-N