SMILES:
O=S(=O)(c1cccc2cnccc12)N1CCN(CC=Cc2ccc(Cl)cc2)CC1Molecular Processing
Molecular formula
C22H22ClN3O2S
Molecular weight
427.96
Exact mass
427.1121
XLogP
3.91
TPSA
53.51
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
117.43
Supplementary Information
Obteniendo detalles…
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