CCOc1cc(-c2ccc(N3CCCN(c4ccc(-c5cc(OCC)c(OCC)c(OCC)c5)cn4)CC3)nc2)cc(OCC)c1OCC.CS(=O)(=O)O.CS(=O)(=O)O
SMILES: CCOc1cc(-c2ccc(N3CCCN(c4ccc(-c5cc(OCC)c(OCC)c(OCC)c5)cn4)CC3)nc2)cc(OCC)c1OCC.CS(=O)(=O)O.CS(=O)(=O)O

Molecular Processing

Molecular formula
C41H58N4O12S2
Molecular weight
863.07
Exact mass
862.3493
XLogP
6.93
TPSA
196.38
H-bond donors
2
H-bond acceptors
14
Rotatable bonds
16
Heavy atoms
59
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
3
Fraction Csp3
0.463
Molar refractivity
230.35

Supplementary Information

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