Name: 2-{[4-bromo-3-methylpheylamino)-1-methylbenzimidazol-5-yloxy)-pyridine-2-carboxylic acid
SMILES:
Cc1cc(Nc2nc3cc(OC4(C(=O)O)C=CC=CN4)ccc3n2C)ccc1BrMolecular Processing
Molecular formula
C21H19BrN4O3
Molecular weight
455.31
Exact mass
454.0641
XLogP
4.22
TPSA
88.41
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
115.29
Supplementary Information
Details werden geladen…
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