SMILES:
O=C(Nc1nccs1)C(CC1CCOCC1)c1ccc(S)cc1Molecular Processing
Molecular formula
C17H20N2O2S2
Molecular weight
348.49
Exact mass
348.0966
XLogP
3.97
TPSA
51.22
H-bond donors
2
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
6
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
95.34
Supplementary Information
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