Name: (3S,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-((S)-1-morpholinobutan-2-yl)piperidin-2-one
SMILES:
C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)CN2CCOCC2)C1=OMolecular Processing
Molecular formula
C29H36Cl2N2O2
Molecular weight
515.53
Exact mass
514.2154
XLogP
6.74
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
144.11
Supplementary Information
Details werden geladen…
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