Nom: ethyl 2-butyl-4-(1-ethyl-1-hydroxypropyl)-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate
SMILES:
CCCCc1nc(C(O)(CC)CC)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C48H50N6O3
Molecular weight
758.97
Exact mass
758.3944
XLogP
9.62
TPSA
107.95
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
16
Heavy atoms
57
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.271
Molar refractivity
223.67
Supplementary Information
Récupération des détails…
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