SMILES:
O=S(=O)(NCCCCSc1cccc2nccn12)c1cccc2ccccc12Molecular Processing
Molecular formula
C21H21N3O2S2
Molecular weight
411.55
Exact mass
411.1075
XLogP
4.34
TPSA
63.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
114.29
Supplementary Information
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