Cn1c(=O)c2c(-c3cccc(Cl)c3)n3c(c2n(C)c1=O)C(c1nc(Cl)cs1)O[C@@H](CO)C3
SMILES: Cn1c(=O)c2c(-c3cccc(Cl)c3)n3c(c2n(C)c1=O)C(c1nc(Cl)cs1)O[C@@H](CO)C3

Molecular Processing

Molecular formula
C21H18Cl2N4O4S
Molecular weight
493.37
Exact mass
492.0426
XLogP
2.95
TPSA
91.28
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
123.79

Supplementary Information

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