SMILES:
COC(=O)COc1ccc(CC(C)NCC(O)c2csc(C(F)(F)F)n2)cc1Molecular Processing
Molecular formula
C18H21F3N2O4S
Molecular weight
418.44
Exact mass
418.1174
XLogP
2.97
TPSA
80.68
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
97.2
Supplementary Information
Details werden geladen…
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