Name: 4′-{[4-butyl-1-(3-furyl)-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile
SMILES:
CCCCc1nc(C)n(-c2ccoc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C27H25N3O2
Molecular weight
423.52
Exact mass
423.1947
XLogP
5.61
TPSA
71.82
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
124.85
Supplementary Information
Details werden geladen…
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