SMILES:
COc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1Molecular Processing
Molecular formula
C20H18N6O3S
Molecular weight
422.47
Exact mass
422.1161
XLogP
3.21
TPSA
120.26
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
113.05
Supplementary Information
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