Nombre: (S)-4-[2-(4,4-Diethylcyclohexyl)-4-(3-methoxypiperidin-1-yl)phenyl]piperazine-1-carboxylic acid t-butyl ester
SMILES:
CCC1(CC)CCC(c2cc(N3CCC[C@H](OC)C3)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1Molecular Processing
Molecular formula
C31H51N3O3
Molecular weight
513.77
Exact mass
513.393
XLogP
6.82
TPSA
45.25
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.774
Molar refractivity
152.93
Supplementary Information
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