Name: compound ( 37 )
SMILES:
CC(N)C(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=OMolecular Processing
Molecular formula
C35H39F2N9O4
Molecular weight
687.75
Exact mass
687.3093
XLogP
3.49
TPSA
130.72
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
50
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.371
Molar refractivity
181.43
Supplementary Information
Details werden geladen…
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