CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)Cc3cccnc3[C@@H]2C1
SMILES: CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)Cc3cccnc3[C@@H]2C1

Molecular Processing

Molecular formula
C22H25Cl2N3O4S
Molecular weight
498.43
Exact mass
497.0943
XLogP
4.54
TPSA
79.81
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
122.33

Supplementary Information

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