SMILES:
O=S1CCN(c2nc(N3CCS(=O)CC3)c3ncnc(SCc4ccccc4)c3n2)CC1Molecular Processing
Molecular formula
C21H24N6O2S3
Molecular weight
488.66
Exact mass
488.1123
XLogP
1.85
TPSA
92.18
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
131.31
Supplementary Information
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