CCC(C)NCC(C(=O)O)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O.O=C(O)C[C@H](O)C(=O)O
SMILES: CCC(C)NCC(C(=O)O)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O.O=C(O)C[C@H](O)C(=O)O

Molecular Processing

Molecular formula
C42H49F2N9O11
Molecular weight
893.9
Exact mass
893.352
XLogP
2.5
TPSA
248.86
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
18
Heavy atoms
64
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
4
Formal charge
0
Heteroatoms
22
Covalent units
2
Fraction Csp3
0.405
Molar refractivity
223.39

Supplementary Information

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