이름: 2-butyl-5-cyano-4-(1-hydroxy-1-methylpropyl)-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole
SMILES:
CCCCc1nc(C(C)(O)CC)c(C#N)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C45H43N7O
Molecular weight
697.89
Exact mass
697.3529
XLogP
8.92
TPSA
105.44
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
53
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
0.222
Molar refractivity
207.81
Supplementary Information
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