Название: 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-trichloromethyl-1H-benzoimidazole-5-carboxylic acid methyl ester
SMILES:
COC(=O)c1ccc2c(c1)nc(C(Cl)(Cl)Cl)n2Cc1cc(-c2ccc(Cl)s2)on1Molecular Processing
Molecular formula
C18H11Cl4N3O3S
Molecular weight
491.18
Exact mass
488.9275
XLogP
6.07
TPSA
70.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
114.24
Supplementary Information
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