SMILES:
COc1cc(C(=O)c2csc(-c3ccc(CC#N)cc3)n2)cc(OC)c1OCMolecular Processing
Molecular formula
C21H18N2O4S
Molecular weight
394.45
Exact mass
394.0987
XLogP
4.13
TPSA
81.44
H-bond donors
0
H-bond acceptors
7
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
0.19
Molar refractivity
106.4
Supplementary Information
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