AC1L9IWK

3-[[3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride;sulfuric acid

Also Known As: 3-[[3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride|3-[[3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride; sulfuric acid|3-[[3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoyl]benzenesulfonyl fluoride;sulfuric acid|Benzenesulfonyl fluoride,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]benzyl]carbamoyl]-, sulfate (2:1) (8CI) (MF1)|Sulfuric acid--3-{[(3-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)methyl]carbamoyl}benzene-1-sulfonyl fluoride (1/1)

Molecular Formula	C25H22Cl2FN5O8S2
Molecular Weight	673.0271 g/mol
LogP	4.1292
Topological Polar Surface Area	242.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	8
Exact Mass	673.0271
Monoisotopic Mass	673.0271
Heavy Atoms	43
Complexity	981.0

Chemical Identifiers

CAS Number	25449-75-6
SMILES	C1=CC(=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)CNC(=O)C4=CC(=CC=C4)S(=O)(=O)F.OS(=O)(=O)O
InChIKey	QPQHATDEPZNTRE-UHFFFAOYSA-N