O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@H](O)C2)c(-c2[nH]ncc2F)c1
SMILES: O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@H](O)C2)c(-c2[nH]ncc2F)c1

Molecular Processing

Molecular formula
C20H17ClF3N5O3
Molecular weight
467.84
Exact mass
467.0972
XLogP
3.6
TPSA
103.37
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
110.44

Supplementary Information

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