الاسم: 2-(((4-((5,5-dimethyl-1,3-dioxan-2-yl)methoxy)-3-methylpyridin-2-yl)methyl)thio)-1H-benzimidazole
SMILES:
Cc1c(OCC2OCC(C)(C)CO2)ccnc1CSc1nc2ccccc2[nH]1Molecular Processing
Molecular formula
C21H25N3O3S
Molecular weight
399.52
Exact mass
399.1617
XLogP
4.34
TPSA
69.26
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
109.6
Supplementary Information
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