SMILES:
NC(=O)c1cnc(N)c2cc(CN3CCOCC3)sc12Molecular Processing
Molecular formula
C13H16N4O2S
Molecular weight
292.36
Exact mass
292.0994
XLogP
0.81
TPSA
94.47
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
78.65
Supplementary Information
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