이름: tert-butyl 4-(2-(1-hydroxycyclohexyl)-2-{3-[(trimethylsilyl)ethynyl]phenyl}ethyl)piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(CC(c2cccc(C#C[Si](C)(C)C)c2)C2(O)CCCCC2)CC1Molecular Processing
Molecular formula
C28H44N2O3Si
Molecular weight
484.76
Exact mass
484.3121
XLogP
5.25
TPSA
53.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
34
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.679
Molar refractivity
141.69
Supplementary Information
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