SMILES:
O=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H]2C[C@H](Oc3cnc(C4CC4)cn3)CN12Molecular Processing
Molecular formula
C22H23F3N4O4S
Molecular weight
496.51
Exact mass
496.1392
XLogP
2.82
TPSA
92.7
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
113.36
Supplementary Information
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