Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(OC3(C(=O)O)C=CC=CN3)ccc21
名称: 2-{[3-(tert-butyl)phenylamino)-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylic acid
SMILES: Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(OC3(C(=O)O)C=CC=CN3)ccc21

Molecular Processing

Molecular formula
C24H26N4O3
Molecular weight
418.5
Exact mass
418.2005
XLogP
4.45
TPSA
88.41
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
121.55

Supplementary Information

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