Cn1c(Nc2cc(C(F)(F)F)ccc2F)nc2cc(Oc3ccnc(NC(=O)CN4CCN(CCO)CC4)c3)ccc21
SMILES: Cn1c(Nc2cc(C(F)(F)F)ccc2F)nc2cc(Oc3ccnc(NC(=O)CN4CCN(CCO)CC4)c3)ccc21

Molecular Processing

Molecular formula
C28H29F4N7O3
Molecular weight
587.58
Exact mass
587.2268
XLogP
4.21
TPSA
107.78
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
148.31

Supplementary Information

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