AC1L9IVE

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

Also Known As: 3-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride|3-[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride; sulfuric acid|3-[[4-[2-[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl]phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;sulfuric acid|Sulfuric acid--3-({[(4-{2-[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]ethyl}phenyl)methyl]carbamoyl}amino)benzene-1-sulfonyl fluoride (1/1)

Molecular Formula	C26H25Cl2FN6O7S2
Molecular Weight	686.0587 g/mol
LogP	4.7271
Topological Polar Surface Area	244.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	686.0587
Monoisotopic Mass	686.0587
Heavy Atoms	44
Complexity	988.0

Chemical Identifiers

CAS Number	20096-75-7
SMILES	C1=CC(=CC(=C1)S(=O)(=O)F)NC(=O)NCC2=CC=C(C=C2)CCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl.OS(=O)(=O)O
InChIKey	PIJAUBSXTTUSCL-UHFFFAOYSA-N