CC(C)C[C@H](C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)C[C@H]1C)[C@H](O)C(=O)NO
Name: (3R)-3-methyl-1-pyridin-2-ylpiperazine
SMILES: CC(C)C[C@H](C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)C[C@H]1C)[C@H](O)C(=O)NO

Molecular Processing

Molecular formula
C19H27F3N4O4
Molecular weight
432.44
Exact mass
432.1984
XLogP
1.67
TPSA
106
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
101.51

Supplementary Information

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