Name: tert-butyl ((3S)-1-{(1-hydroxycyclohexyl)[3-(trifluoromethoxy)phenyl]acetyl}piperidin-3-yl)carbamate
SMILES:
CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)C(c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)C1Molecular Processing
Molecular formula
C25H35F3N2O5
Molecular weight
500.56
Exact mass
500.2498
XLogP
4.88
TPSA
88.1
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
35
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
122.87
Supplementary Information
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