N#Cc1c(N)nc(SCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OC[C@@H](O)CO)nc1
SMILES: N#Cc1c(N)nc(SCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OC[C@@H](O)CO)nc1

Molecular Processing

Molecular formula
C25H19ClN6O4S
Molecular weight
534.99
Exact mass
534.0877
XLogP
3.8
TPSA
175.1
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
136.41

Supplementary Information

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