C[C@@H](Nc1nc(C#N)cc2ncn(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
名称: (R)-4-((1-cyclobutylethyl)amino)-3-(4-(trifluoromethyl)benzyl)-3H-imidazo[4,5-c]pyridine-6-carbonitrile
SMILES: C[C@@H](Nc1nc(C#N)cc2ncn(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1

Molecular Processing

Molecular formula
C21H20F3N5
Molecular weight
399.42
Exact mass
399.1671
XLogP
4.97
TPSA
66.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
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
0.381
Molar refractivity
103.21

Supplementary Information

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