Molecule

ID:129667

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O₄S
Molecular Mass
354.46434
Exact Mass
354.16132832
Charge
0
InChI
InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
InChIKey
UNRHXEPDKXPRTM-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Isomeric Smiles
O=S(=O)(c1cc(c(OC)cc1)C(=O)NCC1N(CC)CCC1)CC
Calculated Properties
JChem
Acid pKa
13.224751
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.4231061
LogD (pH = 7.4)
0.9364668
Log P
1.0802137
Molar Refractivity
95.1444
Polarizability
37.211655
Polar Surface Area
75.71
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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