SMILES:
COc1ccc2sc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2c1Molecular Processing
Molecular formula
C21H22N6OS
Molecular weight
406.52
Exact mass
406.1576
XLogP
3.74
TPSA
90.88
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
116.18
Supplementary Information
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Involved in 1 reactions→