名称: 3-{[4-(2-butynyloxy)phenyl]sulfonyl}-1-(4-chlorobenzyl)-3-piperidinecarboxylic acid
SMILES:
CC#CCOc1ccc(S(=O)(=O)C2(C(=O)O)CCCN(Cc3ccc(Cl)cc3)C2)cc1Molecular Processing
Molecular formula
C23H24ClNO5S
Molecular weight
461.97
Exact mass
461.1064
XLogP
3.64
TPSA
83.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
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
0.348
Molar refractivity
118.9
Supplementary Information
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