SMILES:
Cc1cc2nc(NC(=O)C3CC3c3ccccc3)cc(N3CC[C@@H](F)C3)n2n1Molecular Processing
Molecular formula
C21H22FN5O
Molecular weight
379.44
Exact mass
379.1808
XLogP
3.33
TPSA
62.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
105.37
Supplementary Information
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