Molecule

ID:26541

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂OS
Molecular Mass
342.49824
Exact Mass
342.17658446
Charge
0
InChI
InChI=1S/C20H26N2OS/c1-4-20(2,3)13-10-11-15-16(12-13)24-18(21)17(15)19(23)22-14-8-6-5-7-9-14/h5-9,13H,4,10-12,21H2,1-3H3,(H,22,23)
InChIKey
OVSLLNQOOQSFIV-UHFFFAOYSA-N
Canonic Smiles
CCC(C1CCc2c(C1)sc(c2C(=O)Nc1ccccc1)N)(C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(CC)(C)C)N)C(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
11.84315
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.1805573
LogD (pH = 7.4)
6.180544
Log P
6.1805587
Molar Refractivity
102.7522
Polarizability
38.41605
Polar Surface Area
55.12
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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