SMILES:
OCCNc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1Molecular Processing
Molecular formula
C19H20N6O2S
Molecular weight
396.48
Exact mass
396.1368
XLogP
2.48
TPSA
99.19
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
28
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
111.11
Supplementary Information
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