SMILES:
COc1ccn(-c2nc(C)c(C(=O)NCc3cccnc3)s2)c(=O)c1Molecular Processing
Molecular formula
C17H16N4O3S
Molecular weight
356.41
Exact mass
356.0943
XLogP
1.94
TPSA
86.11
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
94.41
Supplementary Information
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