Name: {4-[6-(4-Methoxymethoxy-phenyl)-3-methyl-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridin-4-ylmethyl]-2,2,5,5-tetramethyl-piperazin-1-yl}-acetic acid methyl ester
SMILES:
COCOc1ccc(-c2cc(CN3CC(C)(C)N(CC(=O)OC)CC3(C)C)c3c(C)nn(C4CCCCO4)c3n2)cc1Molecular Processing
Molecular formula
C32H45N5O5
Molecular weight
579.74
Exact mass
579.3421
XLogP
4.94
TPSA
91.18
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.594
Molar refractivity
161.2
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→