SMILES:
COC[C@H](C)Oc1cc(Oc2ccc3c(c2F)OCCN(C)C3=O)cc(C(=O)Nc2ccn(C)n2)c1Molecular Processing
Molecular formula
C25H27FN4O6
Molecular weight
498.51
Exact mass
498.1915
XLogP
3.48
TPSA
104.15
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
128.5
Supplementary Information
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