SMILES:
N#Cc1ccc2sc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2c1Molecular Processing
Molecular formula
C21H19N7S
Molecular weight
401.5
Exact mass
401.1423
XLogP
3.6
TPSA
105.44
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
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
0.238
Molar refractivity
114.34
Supplementary Information
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Involved in 1 reactions→