Nombre: 6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid
SMILES:
O=C(O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1ClMolecular Processing
Molecular formula
C14H8BrClFN3O2
Molecular weight
384.59
Exact mass
382.9472
XLogP
4.56
TPSA
78.01
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
85.45
Supplementary Information
InChIKey: NYPQWYJGWUJEPD-UHFFFAOYSA-N
Sinónimos
Selumetinib Impurity 8SCHEMBL1038071NYPQWYJGWUJEPD-UHFFFAOYSA-N6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3H-benzoimidazole-5-carboxylic acid
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