Name: 4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid t-butyl ester
SMILES:
CC1(C)CC(c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)C1Molecular Processing
Molecular formula
C25H40N2O2
Molecular weight
400.61
Exact mass
400.309
XLogP
6.06
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.72
Molar refractivity
120.62
Supplementary Information
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