名称: ethyl 3-{[4-(2-butynyloxy)phenyl]sulfonyl}-1-ethyl-3-piperidinecarboxylate
SMILES:
CC#CCOc1ccc(S(=O)(=O)C2(C(=O)OCC)CCCN(CC)C2)cc1Molecular Processing
Molecular formula
C20H27NO5S
Molecular weight
393.51
Exact mass
393.161
XLogP
2.28
TPSA
72.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
103.28
Supplementary Information
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