الاسم: (2-chloro-4-(N-(5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-6-yl)methylsulfonamido)phenyl)boronic acid
SMILES:
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(c3ccc(B(O)O)c(Cl)c3)S(C)(=O)=O)c(C3CC3)cc12Molecular Processing
Molecular formula
C26H23BClFN2O6S
Molecular weight
556.81
Exact mass
556.1042
XLogP
3.91
TPSA
120.08
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
145.23
Supplementary Information
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