Molecule

ID:103947

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈N₂O₃S₂
Molecular Mass
396.56722
Exact Mass
396.15413477
Charge
0
InChI
InChI=1S/C18H24N2S.CH4O3S/c21-15-19-17-9-7-8-16(14-17)18(10-3-1-4-11-18)20-12-5-2-6-13-20;1-5(2,3)4/h7-9,14H,1-6,10-13H2;1H3,(H,2,3,4)
InChIKey
ZASHKPXYYPYQRI-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)O.S=C=Nc1cccc(c1)C1(CCCCC1)N1CCCCC1
Isomeric Smiles
CS(=O)(=O)O.S=C=Nc1cc(ccc1)C1(CCCCC1)N1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0830927
LogD (pH = 7.4)
3.2077022
Log P
5.5098734
Molar Refractivity
94.7094
Polarizability
36.40413
Polar Surface Area
15.6
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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