Name: 4′-{[4-(cis-3-acetylcyclobutyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
SMILES:
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n([C@H]2C[C@@H](C(C)=O)C2)c2ncnn12Molecular Processing
Molecular formula
C28H27N5O2
Molecular weight
465.56
Exact mass
465.2165
XLogP
4.51
TPSA
93.05
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
133.08
Supplementary Information
Details werden geladen…
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