名称: 2-(octane-1-sulfonyl)- 3-[4-(2-piperidin-yl-ethoxy)-phenyl]-propionic acid ethyl ester
SMILES:
CCCCCCCCS(=O)(=O)C(Cc1ccc(OCCN2CCCCC2)cc1)C(=O)OCCMolecular Processing
Molecular formula
C26H43NO5S
Molecular weight
481.7
Exact mass
481.2862
XLogP
4.8
TPSA
72.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
16
Heavy atoms
33
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
0.731
Molar refractivity
133.52
Supplementary Information
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