Name: 4′-{[4-(trans-4-hydroxycyclohexyl)-5-oxo-7-propyl-4,5-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
SMILES:
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n([C@H]2CC[C@H](O)CC2)c2ccnn12Molecular Processing
Molecular formula
C29H30N4O2
Molecular weight
466.59
Exact mass
466.2369
XLogP
5.05
TPSA
83.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
136.36
Supplementary Information
Details werden geladen…
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