SMILES:
CS(=O)(=NC(=O)CCl)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1Molecular Processing
Molecular formula
C22H17Cl3N4O4S
Molecular weight
539.83
Exact mass
538.0036
XLogP
5.12
TPSA
117.59
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
133.53
Supplementary Information
Details werden geladen…
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