SMILES:
CCOC(=O)C(C)(C)Sc1ncccc1-c1ccc(C#N)c2ccccc12Molecular Processing
Molecular formula
C22H20N2O2S
Molecular weight
376.48
Exact mass
376.1245
XLogP
5.21
TPSA
62.98
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
108.46
Supplementary Information
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