Cl.O=S(=O)(NC[C@H]1CC[C@H](CNC2=N[C@H]3CCc4cc(O)ccc4[C@H]3C2)CC1)c1ccccc1
SMILES: Cl.O=S(=O)(NC[C@H]1CC[C@H](CNC2=N[C@H]3CCc4cc(O)ccc4[C@H]3C2)CC1)c1ccccc1

Molecular Processing

Molecular formula
C26H34ClN3O3S
Molecular weight
504.1
Exact mass
503.2009
XLogP
4.39
TPSA
90.79
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
137.34

Supplementary Information

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