SMILES:
Cc1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C#N)c1CMolecular Processing
Molecular formula
C21H18N2OS
Molecular weight
346.46
Exact mass
346.114
XLogP
5.01
TPSA
52.89
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
101.86
Supplementary Information
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