Name: [4-(2,4-dichlorophenyl)-5-pyrazolylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl))amino]ethyl}amine dihydrochloride
SMILES:
Cl.Cl.O=[N+]([O-])c1ccc(NCCNc2ncc(-c3cc[nH]n3)c(-c3ccc(Cl)cc3Cl)n2)nc1Molecular Processing
Molecular formula
C20H18Cl4N8O2
Molecular weight
544.23
Exact mass
542.0307
XLogP
5.51
TPSA
134.55
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
3
Fraction Csp3
0.1
Molar refractivity
137.44
Supplementary Information
Details werden geladen…
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