名称: title compound
SMILES:
COCCOCN(c1noc(C)c1Cl)S(=O)(=O)c1csc2ncccc12Molecular Processing
Molecular formula
C15H16ClN3O5S2
Molecular weight
417.9
Exact mass
417.022
XLogP
3.06
TPSA
94.76
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
98.23
Supplementary Information
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