Name: 3-(3-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperazine
SMILES:
COc1cccc(CC2CN(S(=O)(=O)c3cccs3)CCN2)c1Molecular Processing
Molecular formula
C16H20N2O3S2
Molecular weight
352.48
Exact mass
352.0915
XLogP
1.96
TPSA
58.64
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
91.57
Supplementary Information
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