Name: tert-butyl 4-[(1-hydroxycyclohexyl)(4-{[2-(trifluoromethyl)benzyl]oxy}phenyl)acetyl]piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccc(OCc3ccccc3C(F)(F)F)cc2)C2(O)CCCCC2)CC1Molecular Processing
Molecular formula
C31H39F3N2O5
Molecular weight
576.66
Exact mass
576.2811
XLogP
6.14
TPSA
79.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
41
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.548
Molar refractivity
147.38
Supplementary Information
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