이름: 2-[2-Fluoro-4-(pyrrolidine-1-carbonyl)-phenylcarbamoyl]-1H-benzoimidazole-4-carboxylic acid methyl ester
SMILES:
COC(=O)c1cccc2[nH]c(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3F)nc12Molecular Processing
Molecular formula
C21H19FN4O4
Molecular weight
410.41
Exact mass
410.139
XLogP
2.98
TPSA
104.39
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
106.92
Supplementary Information
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