SMILES:
COc1cc2c(Nc3nc(C)cs3)cnc(CN)c2cc1OCMolecular Processing
Molecular formula
C16H18N4O2S
Molecular weight
330.41
Exact mass
330.115
XLogP
3.22
TPSA
82.29
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
92.87
Supplementary Information
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