Name: title compound
SMILES:
Cc1nc(N[C@H](C)CSc2nc3ccccc3s2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1Molecular Processing
Molecular formula
C21H24N6O4S2
Molecular weight
488.6
Exact mass
488.13
XLogP
1.95
TPSA
138.44
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
126.5
Supplementary Information
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