SMILES:
CCC(CC)c1cc(C)nn2c(-c3sc(-c4ncccn4)cc3C)c(C)nc12Molecular Processing
Molecular formula
C22H25N5S
Molecular weight
391.54
Exact mass
391.1831
XLogP
5.74
TPSA
55.97
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
114.86
Supplementary Information
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