AC1L9J92

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

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

Molecular Formula	C26H24Cl2FN5O9S2
Molecular Weight	703.03766 g/mol
LogP	4.1378
Topological Polar Surface Area	251.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	9
Exact Mass	703.03766
Monoisotopic Mass	703.03766
Heavy Atoms	45
Complexity	1030.0

Chemical Identifiers

CAS Number	25313-35-3
SMILES	COC1=C(C=CC(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)F)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl.OS(=O)(=O)O
InChIKey	HVUOTTGBJKEILZ-UHFFFAOYSA-N