Name: 2-(3-benzyloxyphenyl)-5-(4-octyloxyphenyl)pyrimidine
SMILES:
CCCCCCCCOc1ccc(-c2cnc(-c3cccc(OCc4ccccc4)c3)nc2)cc1Molecular Processing
Molecular formula
C31H34N2O2
Molecular weight
466.63
Exact mass
466.262
XLogP
8.13
TPSA
44.24
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
142.55
Supplementary Information
Details werden geladen…
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