C[C@@H](Nc1nc(Cl)cc2ncn(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
名称: (R)-6-chloro-N-(1-cyclobutylethyl)-3-(4-(trifluoromethyl)benzyl)-3H-imidazo[4,5-c]pyridin-4-amine
SMILES: C[C@@H](Nc1nc(Cl)cc2ncn(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1

Molecular Processing

Molecular formula
C20H20ClF3N4
Molecular weight
408.86
Exact mass
408.1329
XLogP
5.75
TPSA
42.74
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
103.51

Supplementary Information

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