SMILES:
COC(=O)COc1ccc(CC(C)N2CCOC(c3csc(C(F)(F)F)n3)C2)cc1Molecular Processing
Molecular formula
C20H23F3N2O4S
Molecular weight
444.48
Exact mass
444.1331
XLogP
3.72
TPSA
60.89
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
104.5
Supplementary Information
Details werden geladen…
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