Name: 6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-(tetrahydro-pyran-2-ylmethyl)-3H-benzoimidazole-5-carboxylic acid
SMILES:
O=C(O)c1cc2c(ncn2CC2CCCCO2)c(F)c1Nc1ccc(Br)cc1ClMolecular Processing
Molecular formula
C20H18BrClFN3O3
Molecular weight
482.74
Exact mass
481.0204
XLogP
5.6
TPSA
76.38
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
112.68
Supplementary Information
Details werden geladen…
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