名称: 2-{[4-bromo-3-methylpheylamino)-6-methoxy-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylic acid
SMILES:
COc1cc2c(cc1OC1(C(=O)O)C=CC=CN1)nc(Nc1ccc(Br)c(C)c1)n2CMolecular Processing
Molecular formula
C22H21BrN4O4
Molecular weight
485.34
Exact mass
484.0746
XLogP
4.23
TPSA
97.64
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
121.84
Supplementary Information
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