Name: (4aS,8aS)-1-benzyl-4-(phenylamino)octahydroquinolin-4a(2H)-ol
SMILES:
O[C@]12CCCC[C@@H]1N(Cc1ccccc1)CCC2Nc1ccccc1Molecular Processing
Molecular formula
C22H28N2O
Molecular weight
336.48
Exact mass
336.2202
XLogP
4.05
TPSA
35.5
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
102.53
Supplementary Information
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