COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1
SMILES: COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1

Molecular Processing

Molecular formula
C27H36F2N8O4
Molecular weight
574.63
Exact mass
574.2828
XLogP
3.83
TPSA
110.97
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
148.23

Supplementary Information

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