الاسم: tert-butyl 4-[2-(3-ethynylphenyl)-2-(1-hydroxycyclohexyl)ethyl]piperazine-1-carboxylate
SMILES:
C#Cc1cccc(C(CN2CCN(C(=O)OC(C)(C)C)CC2)C2(O)CCCCC2)c1Molecular Processing
Molecular formula
C25H36N2O3
Molecular weight
412.57
Exact mass
412.2726
XLogP
4
TPSA
53.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.64
Molar refractivity
119.4
Supplementary Information
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