Molecule

ID:26612

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂OS
Molecular Mass
342.49824
Exact Mass
342.17658446
Charge
0
InChI
InChI=1S/C20H26N2OS/c1-20(2,3)14-9-10-15-16(11-14)24-18(21)17(15)19(23)22-12-13-7-5-4-6-8-13/h4-8,14H,9-12,21H2,1-3H3,(H,22,23)
InChIKey
FGLIWMCLJNZMBF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(N)sc2c1CCC(C2)C(C)(C)C)NCc1ccccc1
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(C)(C)C)N)C(=O)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
15.804361
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.4428935
LogD (pH = 7.4)
5.442895
Log P
5.442895
Molar Refractivity
101.2054
Polarizability
38.22672
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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