Name: methyl (1S,2S,5R)-5-[(1-acetylpiperidin-4-yl)oxy]-2-[(4-phenylpiperazin-1-yl)carbonyl]cyclohexane-carboxylate
SMILES:
COC(=O)[C@H]1C[C@H](OC2CCN(C(C)=O)CC2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1Molecular Processing
Molecular formula
C26H37N3O5
Molecular weight
471.6
Exact mass
471.2733
XLogP
2.32
TPSA
79.39
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.654
Molar refractivity
128.23
Supplementary Information
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