Name: 4-chloro-2-[[(2,3-difluorophenyl)methyl]thio]-6-[(2-phenyl-1,3-dioxan-5-yl)oxy]-pyrimidine
SMILES:
Fc1cccc(CSc2nc(Cl)cc(OC3COC(c4ccccc4)OC3)n2)c1FMolecular Processing
Molecular formula
C21H17ClF2N2O3S
Molecular weight
450.89
Exact mass
450.0616
XLogP
5.19
TPSA
53.47
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
108.46
Supplementary Information
Details werden geladen…
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