AC1L7EUI

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

Also Known As: 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me|4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-3-methylbenzenesulfonyl fluoride; ethanesulfonic acid|4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-3-methylbenzenesulfonyl fluoride;ethanesulfonic acid|Ethanesulfonic acid--4-[({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}carbamoyl)amino]-3-methylbenzene-1-sulfonyl fluoride (1/1)

Molecular Formula	C22H30FN7O6S2
Molecular Weight	571.1683 g/mol
LogP	2.05452
Topological Polar Surface Area	226.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	571.1683
Monoisotopic Mass	571.1683
Heavy Atoms	38
Complexity	968.0

Chemical Identifiers

CAS Number	20120-68-7
SMILES	CCS(=O)(=O)O.CC1=C(C=CC(=C1)S(=O)(=O)F)NC(=O)NCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N
InChIKey	LGKDIIPFHZHCBS-UHFFFAOYSA-N