SMILES:
O=S(=O)(Nc1ccc2[nH]nc(-c3ccccc3)c2c1)C1CCNCC1Molecular Processing
Molecular formula
C18H20N4O2S
Molecular weight
356.45
Exact mass
356.1307
XLogP
2.72
TPSA
86.88
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
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
0.278
Molar refractivity
99.96
Supplementary Information
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