이름: tert-butyl 4-[2-(2′-fluoro-biphenyl-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(CC(c2cccc(-c3ccccc3F)c2)C2(O)CCCCC2)CC1Molecular Processing
Molecular formula
C29H39FN2O3
Molecular weight
482.64
Exact mass
482.2945
XLogP
5.82
TPSA
53.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.552
Molar refractivity
136.86
Supplementary Information
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