Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(C(=O)OC(C)(C)C)c3)ccc21
名称: tert-butyl4-(2-{[3-(tert-butyl)phenyl]amino)-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylate
SMILES: Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(C(=O)OC(C)(C)C)c3)ccc21

Molecular Processing

Molecular formula
C28H32N4O3
Molecular weight
472.59
Exact mass
472.2474
XLogP
6.76
TPSA
78.27
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
138.62

Supplementary Information

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