SMILES:
O[C@@H]1[C@@H](O)[C@H](Oc2cncc(-c3ccc(OC(F)(F)F)cc3)c2)SC[C@H]1OMolecular Processing
Molecular formula
C17H16F3NO5S
Molecular weight
403.38
Exact mass
403.0701
XLogP
2.18
TPSA
92.04
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
91.25
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→