SMILES:
CC(=O)c1ccc(Cn2ncc(NC(=O)c3ncoc3-c3cccc(N(C)C)c3)n2)s1Molecular Processing
Molecular formula
C21H20N6O3S
Molecular weight
436.5
Exact mass
436.1318
XLogP
3.56
TPSA
106.15
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31
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
0.19
Molar refractivity
117.67
Supplementary Information
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