SMILES:
CN(C)CCCOc1cccc2c1nc(C(F)F)n2-c1nc(OC2CCN(S(C)(=O)=O)CC2)nc(N2CCOCC2)n1.ClMolecular Processing
Molecular formula
C26H37ClF2N8O5S
Molecular weight
647.15
Exact mass
646.2264
XLogP
2.54
TPSA
128.04
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
2
Fraction Csp3
0.615
Molar refractivity
158.42
Supplementary Information
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