名称: cis-4-[2-(4,4-dimethylcyclohexyl)-4-(2,6-dimethylmorpholin-4-yl)phenyl]piperazine-1-carboxylic acid t-butyl ester
SMILES:
C[C@@H]1CN(c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C3CCC(C)(C)CC3)c2)C[C@H](C)O1Molecular Processing
Molecular formula
C29H47N3O3
Molecular weight
485.71
Exact mass
485.3617
XLogP
6.04
TPSA
45.25
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
35
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.759
Molar refractivity
143.67
Supplementary Information
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