Name: 6-(4-methoxymethoxy-phenyl)-3-methyl-1-(tetrahydro-pyran-2-yl)-4-[2,2,5,5-tetramethyl-4-(3,3,3-trifluoro-propyl)-piperazin-1-ylmethyl]-1H-pyrazolo[3,4-b]pyridine
SMILES:
COCOc1ccc(-c2cc(CN3CC(C)(C)N(CCC(F)(F)F)CC3(C)C)c3c(C)nn(C4CCCCO4)c3n2)cc1Molecular Processing
Molecular formula
C32H44F3N5O3
Molecular weight
603.73
Exact mass
603.3396
XLogP
6.72
TPSA
64.88
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
159.86
Supplementary Information
Details werden geladen…
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