CCOC(=O)CC(c1ccc2c(c1)OC(F)(F)O2)c1c[nH]c2c(CSC)cccc12
SMILES: CCOC(=O)CC(c1ccc2c(c1)OC(F)(F)O2)c1c[nH]c2c(CSC)cccc12

Molecular Processing

Molecular formula
C22H21F2NO4S
Molecular weight
433.48
Exact mass
433.1159
XLogP
5.44
TPSA
60.55
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
111.26

Supplementary Information

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