SMILES:
Cc1nc(N2CCN(Cc3ccncc3)C2=O)sc1C(=O)NCc1cccnc1Molecular Processing
Molecular formula
C20H20N6O2S
Molecular weight
408.49
Exact mass
408.1368
XLogP
2.61
TPSA
91.32
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
109.65
Supplementary Information
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