CC1CN(CC(O1)C)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C4CCC(CC4)(C)C
Название: tert-butyl 4-[2-(4,4-dimethylcyclohexyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]piperazine-1-carboxylate
SMILES: CC1CN(CC(O1)C)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C4CCC(CC4)(C)C

Molecular 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
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.759
Molar refractivity
143.67

Supplementary Information

InChIKey: SZDAXYCMWSFTHW-SZPZYZBQSA-N
Синонимы
SCHEMBL4856246SZDAXYCMWSFTHW-SZPZYZBQSA-Ncis-4-[2-(4,4-Dimethylcyclohexyl)-4-(2,6-dimethylmorpholin-4-yl)phenyl]piperazine-1-carboxylic acid t-butyl ester
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