SMILES:
Cc1ccc(Cc2cnc(NCCSCc3cc(CN(C)C)ccn3)[nH]c2=O)cn1Molecular Processing
Molecular formula
C22H28N6OS
Molecular weight
424.57
Exact mass
424.2045
XLogP
2.87
TPSA
86.8
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
122.92
Supplementary Information
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