Name: compound ( 28 )
SMILES:
CC(NC(=O)[O-])C(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=OMolecular Processing
Molecular formula
C36H38F2N9O6-
Molecular weight
730.75
Exact mass
730.2919
XLogP
2.46
TPSA
156.86
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
53
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
-1
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.361
Molar refractivity
185.77
Supplementary Information
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