CC[C@H](C)N1CC(C)(C)[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O
SMILES: CC[C@H](C)N1CC(C)(C)[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1=O

Molecular Processing

Molecular formula
C18H21F3N2O2
Molecular weight
354.37
Exact mass
354.1555
XLogP
3.99
TPSA
53.33
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
85.82

Supplementary Information

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