SMILES:
CSCCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=OMolecular Processing
Molecular formula
C22H20N2O2S
Molecular weight
376.48
Exact mass
376.1245
XLogP
4.65
TPSA
65.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
108.89
Supplementary Information
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