Nom: 2-{[4-chloropheylamino)-6-methoxy-1-methylbenzimidazol-5-yloxy)-pyridine-2-carboxylic acid
SMILES:
COc1cc2c(cc1OC1(C(=O)O)C=CC=CN1)nc(Nc1ccc(Cl)cc1)n2CMolecular Processing
Molecular formula
C21H19ClN4O4
Molecular weight
426.86
Exact mass
426.1095
XLogP
3.81
TPSA
97.64
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
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
0.143
Molar refractivity
114.41
Supplementary Information
Récupération des détails…
Impliqué dans 8 réactions→