Molecule

ID:57660

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈N₂O₂S
Molecular Mass
336.49212
Exact Mass
336.18714915
Charge
0
InChI
InChI=1S/C18H28N2O2S/c19-15-11-13-18(14-12-15)23(21,22)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17H,1-10,19H2
InChIKey
ZGAOHMKUHPRLAB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)N(C1CCCCC1)C1CCCCC1
Isomeric Smiles
S(=O)(=O)(N(C1CCCCC1)C1CCCCC1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7958717
LogD (pH = 7.4)
3.7962391
Log P
3.796244
Molar Refractivity
94.7381
Polarizability
37.378437
Polar Surface Area
63.4
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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