Cc1cc2c(F)c(Oc3ncnn4cc(OCC(O)CS(C)(=O)=O)c(C)c34)ccc2[nH]1
SMILES: Cc1cc2c(F)c(Oc3ncnn4cc(OCC(O)CS(C)(=O)=O)c(C)c34)ccc2[nH]1

Molecular Processing

Molecular formula
C20H21FN4O5S
Molecular weight
448.48
Exact mass
448.1217
XLogP
2.54
TPSA
118.81
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
112

Supplementary Information

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