이름: (±)-N-[4-[cyano[(trimethylsilyl)oxy] phenylmethyl]phenyl]4,5-dihydro-3-(3-pyridinyl)-5-isoxazolecarboxamide
SMILES:
C[Si](C)(C)OC(C#N)(c1ccccc1)c1ccc(NC(=O)C2CC(c3cccnc3)=NO2)cc1Molecular Processing
Molecular formula
C26H26N4O3Si
Molecular weight
470.61
Exact mass
470.1774
XLogP
4.83
TPSA
96.6
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
132.6
Supplementary Information
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