Molecule

ID:82089

General Information
Structure
Molecular Formula
C₂₀H₂₈N₂O₂
Molecular Mass
328.44852
Exact Mass
328.21507815
Charge
0
InChI
InChI=1S/C20H28N2O2/c1-8-24-19(23)17-11-18(20(5,6)7)21-22(17)12-16-14(3)9-13(2)10-15(16)4/h9-11H,8,12H2,1-7H3
InChIKey
FAOFWPUQYMFDIC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(nn1Cc1c(C)cc(cc1C)C)C(C)(C)C
Isomeric Smiles
n1c(C(C)(C)C)cc(n1Cc1c(cc(cc1C)C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.877016
LogD (pH = 7.4)
5.8770356
Log P
5.8770356
Molar Refractivity
109.6429
Polarizability
37.340595
Polar Surface Area
44.12
Rotatable Bonds
6
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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