이름: 1-[(2-methoxy-3-pyridyl)methyl]-4-[2-oxo-2-(2-thienyl)ethyl]piperidine
SMILES:
COc1ncccc1CN1CCC(CC(=O)c2cccs2)CC1Molecular Processing
Molecular formula
C18H22N2O2S
Molecular weight
330.45
Exact mass
330.1402
XLogP
3.64
TPSA
42.43
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
92.06
Supplementary Information
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