이름: 2-((1S)-1-((5-(2-Fluoro-6-methoxyphenyl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)ethyl)-5-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
SMILES:
COc1cccc(F)c1-c1cn(COCC[Si](C)(C)C)c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12Molecular Processing
Molecular formula
C34H38FN7O3Si
Molecular weight
639.81
Exact mass
639.2789
XLogP
6.84
TPSA
100.5
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
46
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
181.14
Supplementary Information
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