이름: N-[4-(4-amino-7-iodofuro[3,2-c]pyridin-3-yl)-2-methoxyphenyl]-1-methyl-1H-benzimidazole-2-carboxamide
SMILES:
COc1cc(-c2coc3c(I)cnc(N)c23)ccc1NC(=O)c1nc2ccccc2n1CMolecular Processing
Molecular formula
C23H18IN5O3
Molecular weight
539.33
Exact mass
539.0454
XLogP
4.83
TPSA
108.2
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
131.79
Supplementary Information
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