SMILES:
CNCCOc1ccccc1C1(Nc2nccn(-c3cc(C(=O)NC4CC4)cc(F)c3C)c2=O)CC1Molecular Processing
Molecular formula
C27H30FN5O3
Molecular weight
491.57
Exact mass
491.2333
XLogP
3.27
TPSA
97.28
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
135.42
Supplementary Information
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