SMILES:
Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ncc(Cl)cc2F)c1Molecular Processing
Molecular formula
C24H25ClFN5O
Molecular weight
453.95
Exact mass
453.1732
XLogP
4.99
TPSA
71.01
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
123.12
Supplementary Information
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