SMILES:
COc1ccccc1Sc1ccc(-c2ccnc(N3CCCC(CO)C3)c2)cc1C(F)(F)FMolecular Processing
Molecular formula
C25H25F3N2O2S
Molecular weight
474.55
Exact mass
474.1589
XLogP
6.14
TPSA
45.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
123.81
Supplementary Information
Details werden geladen…
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