الاسم: Dimethyl 3-[4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]pentanedioate
SMILES:
COC(=O)CC(CC(=O)OC)n1cc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)cn1Molecular Processing
Molecular formula
C22H31N5O5Si
Molecular weight
473.61
Exact mass
473.2094
XLogP
3.27
TPSA
110.36
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
125.16
Supplementary Information
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