Название: methyl 4-(1-hydroxy-1-methylethyl)-2-methoxymethyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate
SMILES:
COCc1nc(C(C)(C)O)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C43H40N6O4
Molecular weight
704.83
Exact mass
704.3111
XLogP
7.25
TPSA
117.18
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
53
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.186
Molar refractivity
201.92
Supplementary Information
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