SMILES:
CC(C)(C)OC(=O)NC1(CF)CCN([C@H](c2ccc(Cl)nc2)C(F)(F)F)C1Molecular Processing
Molecular formula
C17H22ClF4N3O2
Molecular weight
411.83
Exact mass
411.1337
XLogP
4.28
TPSA
54.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
92.31
Supplementary Information
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