Name: title compound
SMILES:
COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)C(=O)C2(C)C)cc1OCMolecular Processing
Molecular formula
C24H27Cl2N3O5S
Molecular weight
540.47
Exact mass
539.1048
XLogP
4.44
TPSA
88.51
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
134.95
Supplementary Information
Details werden geladen…
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