SMILES:
CN1/C(=C(C#N)/C=C/C=C2/C(=O)c3ccccc3S2(=O)=O)C(C)(C)c2ccccc21Molecular Processing
Molecular formula
C24H20N2O3S
Molecular weight
416.5
Exact mass
416.1195
XLogP
4.3
TPSA
78.24
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
115.69
Supplementary Information
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