O=C(Nc1ccc(C2CCN(C(=O)CCc3cc(O)no3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F
SMILES: O=C(Nc1ccc(C2CCN(C(=O)CCc3cc(O)no3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F

Molecular Processing

Molecular formula
C28H25F3N4O5
Molecular weight
554.53
Exact mass
554.1777
XLogP
5.65
TPSA
121.7
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
136.38

Supplementary Information

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