AC1Q6X6Q

1-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-(3-methoxyphenyl)urea;ethanesulfonic acid

Also Known As: ethanesulfonic acid- 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1)|1-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-(3-methoxyphenyl)urea,ethanesulfonic acid|1-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-(3-methoxyphenyl)urea; ethanesulfonic acid|1-[[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-(3-methoxyphenyl)urea;ethanesulfonic acid|Ethanesulfonic acid--N-{[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}-N'-(3-methoxyphenyl)urea (1/1)|ethanesulfonic acid-1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzyl]-3-(3-methoxyphenyl)urea(1:1)

Molecular Formula	C22H31N7O5S
Molecular Weight	505.21072 g/mol
LogP	2.0965
Topological Polar Surface Area	193.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	505.21072
Monoisotopic Mass	505.21072
Heavy Atoms	35
Complexity	754.0

Chemical Identifiers

CAS Number	5107-74-4
SMILES	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CNC(=O)NC3=CC(=CC=C3)OC)N)N)C
InChIKey	NSABTDGDPAKAKS-UHFFFAOYSA-N