CC(=O)OC1CSC(Oc2ccc(-c3cncc(Cl)c3)nc2)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OC1CSC(Oc2ccc(-c3cncc(Cl)c3)nc2)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C21H21ClN2O7S
Molecular weight
480.93
Exact mass
480.0758
XLogP
3.04
TPSA
113.91
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
116.01

Supplementary Information

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