Name: compound
SMILES:
Cn1c(=O)c(-c2ccc(Cl)cc2)cc2c3cc(-c4csc(CO)n4)ccc3n(C)c21Molecular Processing
Molecular formula
C23H18ClN3O2S
Molecular weight
435.94
Exact mass
435.0808
XLogP
4.97
TPSA
60.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
123.14
Supplementary Information
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