SMILES:
Cn1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)cn1Molecular Processing
Molecular formula
C21H20F3N5O3
Molecular weight
447.42
Exact mass
447.1518
XLogP
3.2
TPSA
92.51
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
110.35
Supplementary Information
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