Name: 4′-{[3-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-6-propoxy-3,4-dihydropyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile
SMILES:
CCCOc1cc(=O)n(CC(=O)C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1Molecular Processing
Molecular formula
C27H29N3O4
Molecular weight
459.55
Exact mass
459.2158
XLogP
4
TPSA
94.09
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
130.9
Supplementary Information
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