SMILES:
O=c1c2cnc(-c3ccccc3)nc2sn1CCN1CCOCC1Molecular Processing
Molecular formula
C17H18N4O2S
Molecular weight
342.42
Exact mass
342.115
XLogP
1.85
TPSA
60.25
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
94.37
Supplementary Information
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