SMILES:
CC(=O)OC1CCN(C)C(=O)N1c1nnc(C2CC2)s1Molecular Processing
Molecular formula
C12H16N4O3S
Molecular weight
296.35
Exact mass
296.0943
XLogP
1.57
TPSA
75.63
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
72.56
Supplementary Information
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