CN(C)c1ccc(Nc2nc3cc(OC4(C(=O)O)C=CC=CN4)ccc3n2C)cc1
名称: 2-{[4-(dimethylamino)pheylamino)-1-methylbenzimidazol-5-yloxy)-pyridine-2-carboxylic acid
SMILES: CN(C)c1ccc(Nc2nc3cc(OC4(C(=O)O)C=CC=CN4)ccc3n2C)cc1

Molecular Processing

Molecular formula
C22H23N5O3
Molecular weight
405.46
Exact mass
405.1801
XLogP
3.22
TPSA
91.65
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
8
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
117.18

Supplementary Information

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