CC(NC(C#N)c1ccccc1)C(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O
Name: compound 122
SMILES: CC(NC(C#N)c1ccccc1)C(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O

Molecular Processing

Molecular formula
C43H44F2N10O4
Molecular weight
802.89
Exact mass
802.3515
XLogP
5.38
TPSA
140.52
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
14
Heavy atoms
59
Rings
8
Aromatic rings
6
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.326
Molar refractivity
215.17

Supplementary Information

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