AC1L5QFH

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

Also Known As: 1,4-Naphthalenedione,5,8-dimethyl|ethanesulfonic acid- 5-chloro-2-{2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]ethyl}benzenesulfonyl fluoride(1:1)|5-chloro-2-(2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenethyl)benzenesulfonyl fluoride ethanesulfonate|5-chloro-2-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride; ethanesulfonic acid|5-Chloro-2-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid|Ethanesulfonic acid--5-chloro-2-{2-[2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]ethyl}benzene-1-sulfonyl fluoride (1/1)

Molecular Formula	C21H26Cl2FN5O5S2
Molecular Weight	581.07367 g/mol
LogP	3.5164
Topological Polar Surface Area	185.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	581.07367
Monoisotopic Mass	581.07367
Heavy Atoms	36
Complexity	906.0

Chemical Identifiers

CAS Number	315-80-0
SMILES	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=C(C=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C
InChIKey	XPYCIEZOJIEUKS-UHFFFAOYSA-N