SMILES:
Cl.Cl.Nc1nc(C2(c3ccccc3)CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)c4ccccc4)C3)CC2)cs1.OMolecular Processing
Molecular formula
C35H42Cl4N4O2S
Molecular weight
724.63
Exact mass
722.1783
XLogP
8.09
TPSA
93.96
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
46
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
4
Fraction Csp3
0.371
Molar refractivity
196.49
Supplementary Information
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Involved in 3 reactions→