SMILES:
CC1CN(c2cc3c(c(NCc4ccccc4)c2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1Molecular Processing
Molecular formula
C25H27FN4O3
Molecular weight
450.51
Exact mass
450.2067
XLogP
3.58
TPSA
86.6
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
126.84
Supplementary Information
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