Molecule

ID:22798

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₂
Molecular Mass
326.43264
Exact Mass
326.19942808
Charge
0
InChI
InChI=1S/C20H26N2O2/c1-13-6-9-16(21)12-18(13)22-19(23)14(2)24-17-10-7-15(8-11-17)20(3,4)5/h6-12,14H,21H2,1-5H3,(H,22,23)
InChIKey
UHLYXWNSSKTNBN-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Oc1ccc(cc1)C(C)(C)C)C)Nc1cc(N)ccc1C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1C)C(Oc1ccc(C(C)(C)C)cc1)C
Calculated Properties
JChem
Acid pKa
12.7783375
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.5000863
LogD (pH = 7.4)
4.5258355
Log P
4.5261755
Molar Refractivity
99.7845
Polarizability
37.518517
Polar Surface Area
64.35
Rotatable Bonds
5
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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