SMILES:
C=C(C)C(=O)Nc1ccc(Nc2nccc(Sc3ccc(OC)cc3)n2)cc1Molecular Processing
Molecular formula
C21H20N4O2S
Molecular weight
392.48
Exact mass
392.1307
XLogP
4.89
TPSA
76.14
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
112.32
Supplementary Information
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