Name: (4-benzyl-4-hydroxypiperidin-1-yl) (5-bromo-1,3-benzodioxol-4-yl)methanone
SMILES:
O=C(c1c(Br)ccc2c1OCO2)N1CCC(O)(Cc2ccccc2)CC1Molecular Processing
Molecular formula
C20H20BrNO4
Molecular weight
418.29
Exact mass
417.0576
XLogP
3.39
TPSA
59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
100.5
Supplementary Information
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Involved in 10 reactions→