SMILES:
CNc1cc(N(C)S(=O)(=O)c2ccc(N)cc2)nc(NC)n1Molecular Processing
Molecular formula
C13H18N6O2S
Molecular weight
322.39
Exact mass
322.1212
XLogP
0.97
TPSA
113.24
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
87.57
Supplementary Information
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