SMILES:
COC(=O)C(C)Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4cscn4)c3)c12Molecular Processing
Molecular formula
C23H20N6O3S
Molecular weight
460.52
Exact mass
460.1318
XLogP
4.17
TPSA
104.05
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
125.88
Supplementary Information
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