CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1
SMILES: CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1

Molecular Processing

Molecular formula
C24H26ClN3O4S
Molecular weight
488.01
Exact mass
487.1333
XLogP
4.04
TPSA
79.81
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
130.19

Supplementary Information

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