이름: 4-{2-[3-amino-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]-4-chlorophenoxy}-5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILES:
COCN(c1cccnn1)S(=O)(=O)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cn(C3CCCCO3)nc2N)cc1FMolecular Processing
Molecular formula
C26H25Cl2FN6O5S
Molecular weight
623.49
Exact mass
622.0968
XLogP
5.66
TPSA
134.69
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
150.98
Supplementary Information
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