이름: tert-butyl 4-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)ethyl]piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(CC1)CC(C2=CC(=CC=C2)Br)C3(CCCCC3)OMolecular Processing
Molecular formula
C23H35BrN2O3
Molecular weight
467.45
Exact mass
466.1831
XLogP
4.78
TPSA
53.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
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
0.696
Molar refractivity
119.16
Supplementary Information
InChIKey: GXFBHSLODPZSRG-UHFFFAOYSA-N
동의어
SCHEMBL3952907GXFBHSLODPZSRG-UHFFFAOYSA-Ntert-butyl 4-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)ethyl]piperazine-1-carboxylate
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