이름: 4-[5-morpholin-4-yl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid t-butyl ester
SMILES:
CC1(C)CC(c2ccc(N3CCOCC3)cc2N2CCN(C(=O)OC(C)(C)C)CC2)CC(C)(C)C1Molecular Processing
Molecular formula
C29H47N3O3
Molecular weight
485.71
Exact mass
485.3617
XLogP
5.9
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
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.759
Molar refractivity
143.65
Supplementary Information
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