Molecule

ID:26558

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂OS
Molecular Mass
342.49824
Exact Mass
342.17658446
Charge
0
InChI
InChI=1S/C20H26N2OS/c1-12-6-5-7-14(10-12)22-19(23)17-15-9-8-13(20(2,3)4)11-16(15)24-18(17)21/h5-7,10,13H,8-9,11,21H2,1-4H3,(H,22,23)
InChIKey
CIGOGWCBUXBRCM-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)NC(=O)c1c(N)sc2c1CCC(C2)C(C)(C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(C)(C)C)N)C(=O)Nc1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
12.113165
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.24941
LogD (pH = 7.4)
6.2494035
Log P
6.2494116
Molar Refractivity
103.1924
Polarizability
38.338406
Polar Surface Area
55.12
Rotatable Bonds
3
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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