Nombre: 1-[4-(4-chlorophenyl)-2-(4-acetylamino-2,6-dichlorophenoxy)-n-butyl]imidazole
SMILES:
CC(=O)Nc1cc(Cl)c(OC(CCc2ccc(Cl)cc2)Cn2ccnc2)c(Cl)c1Molecular Processing
Molecular formula
C21H20Cl3N3O2
Molecular weight
452.77
Exact mass
451.0621
XLogP
5.88
TPSA
56.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
117.18
Supplementary Information
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