SMILES:
Cc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)NCc1ccncn1Molecular Processing
Molecular formula
C17H20N6O2S
Molecular weight
372.45
Exact mass
372.1368
XLogP
1.82
TPSA
91.32
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
97.09
Supplementary Information
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