SMILES:
Cc1ccc(S(=O)(=O)n2cc(C3=CCN4CCCC4C3)c3cccnc32)cc1Molecular Processing
Molecular formula
C22H23N3O2S
Molecular weight
393.51
Exact mass
393.1511
XLogP
3.83
TPSA
55.2
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
110.68
Supplementary Information
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