名称: ethyl 3-{[4-(2-butynyloxy)phenyl]sulfonyl}-1-(4-chlorobenzyl)-3-piperidinecarboxylate
SMILES:
CC#CCOc1ccc(S(=O)(=O)C2(C(=O)OCC)CCCN(Cc3ccc(Cl)cc3)C2)cc1Molecular Processing
Molecular formula
C25H28ClNO5S
Molecular weight
490.02
Exact mass
489.1377
XLogP
4.11
TPSA
72.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
127.9
Supplementary Information
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