SMILES:
Cn1nccc1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)c(Cl)c1Molecular Processing
Molecular formula
C22H22ClN3O2S
Molecular weight
427.96
Exact mass
427.1121
XLogP
4.43
TPSA
70.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
115.14
Supplementary Information
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