이름: tert-butyl 4-[4-bromo-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylate
SMILES:
CC1(CC(CC(C1)(C)C)C2=C(C=CC(=C2)Br)N3CCN(CC3)C(=O)OC(C)(C)C)CMolecular Processing
Molecular formula
C25H39BrN2O2
Molecular weight
479.5
Exact mass
478.2195
XLogP
6.83
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.72
Molar refractivity
128.32
Supplementary Information
InChIKey: YTOHHIVTCSVQAB-UHFFFAOYSA-N
동의어
SCHEMBL4253695YTOHHIVTCSVQAB-UHFFFAOYSA-N4-[4-bromo-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid t-butyl ester
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