名称: 3-(Bromomethyl)-1-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]cyclobutylacetonitrile
SMILES:
C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C4(CC#N)CC(CBr)C4)c3)ncnc21Molecular Processing
Molecular formula
C22H29BrN6OSi
Molecular weight
501.51
Exact mass
500.1355
XLogP
5.02
TPSA
81.55
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
127.58
Supplementary Information
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