Name: 2-butyl-4-(1-hydroxy-2,2-dimethylpropyl)-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carbonitrile
SMILES:
CCCCc1nc(C(O)C(C)(C)C)c(C#N)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C46H45N7O
Molecular weight
711.91
Exact mass
711.3686
XLogP
9.39
TPSA
105.44
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
54
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.239
Molar refractivity
212.37
Supplementary Information
Details werden geladen…
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