Name: 2-butyl-4-pivaloyl-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
C46H43N7O
Molecular weight
709.9
Exact mass
709.3529
XLogP
9.54
TPSA
102.28
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
54
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
211.74
Supplementary Information
Details werden geladen…
An 6 Reaktionen beteiligt→