Name: (2-{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}-ethyl)-methyl-carbamic acid tert-butyl ester
SMILES:
COCOc1ccc(-c2cc(CN3CC(C)(C)N(CCN(C)C(=O)OC(C)(C)C)CC3(C)C)c3c(C)nn(C4CCCCO4)c3n2)cc1Molecular Processing
Molecular formula
C37H56N6O5
Molecular weight
664.89
Exact mass
664.4312
XLogP
6.63
TPSA
94.42
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
48
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
0.649
Molar refractivity
188.05
Supplementary Information
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