SMILES:
CSCCCNc1cc(-c2cccc3[nH]ncc23)nc2c1cnn2CMolecular Processing
Molecular formula
C18H20N6S
Molecular weight
352.47
Exact mass
352.147
XLogP
3.68
TPSA
71.42
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
105.09
Supplementary Information
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