CCC1CC(=O)CC(N1S(=O)(=O)C2=CC=C(C=C2)F)CC
이름: 2,6-diethyl-1-(4-fluorophenyl)sulfonylpiperidin-4-one
SMILES: CCC1CC(=O)CC(N1S(=O)(=O)C2=CC=C(C=C2)F)CC

Molecular Processing

Molecular formula
C15H20FNO3S
Molecular weight
313.39
Exact mass
313.1148
XLogP
2.74
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
77.82

Supplementary Information

InChIKey: OJUUSOIBMPROTM-UHFFFAOYSA-N
동의어
SCHEMBL3073970OJUUSOIBMPROTM-UHFFFAOYSA-N2,6-diethyl-1-(4-fluorophenylsulfonyl)piperidin-4-one
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