SMILES:
C[C@H]1C[C@H](Nc2cc(=O)[nH]c3cc(F)c(F)cc23)CCN1C(=O)c1cnn(C)c1ClMolecular Processing
Molecular formula
C20H20ClF2N5O2
Molecular weight
435.86
Exact mass
435.1274
XLogP
3.3
TPSA
83.02
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
109.85
Supplementary Information
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