COc1nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N2CCN(C)CC2)n1
SMILES: COc1nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N2CCN(C)CC2)n1

Molecular Processing

Molecular formula
C23H30F3N7O2
Molecular weight
493.53
Exact mass
493.2413
XLogP
2.18
TPSA
86.72
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
124.32

Supplementary Information

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