Name: 4′-({4-[trans-4-(2-hydroxypropoxy)cyclohexyl]-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](OCC(C)O)CC2)c2ccnn12Molecular Processing
Molecular formula
C32H36N4O3
Molecular weight
524.67
Exact mass
524.2787
XLogP
5.46
TPSA
92.55
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.406
Molar refractivity
151.77
Supplementary Information
Details werden geladen…
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