SMILES:
CCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1OCMolecular Processing
Molecular formula
C17H19N3O2S
Molecular weight
329.43
Exact mass
329.1198
XLogP
4.05
TPSA
60.03
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
92.23
Supplementary Information
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