Molecule

ID:80283

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₄N₂O₂
Molecular Mass
406.56036
Exact Mass
406.26202834
Charge
0
InChI
InChI=1S/C26H34N2O2/c1-30-25-15-9-8-14-24(25)21-16-18-27(19-17-21)20-26(29)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2,4-5,8-11,14-15,21,23H,3,6-7,12-13,16-20H2,1H3
InChIKey
AAINJIVOPCWXKF-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C1CCN(CC1)CC(=O)N(c1ccccc1)C1CCCCC1
Isomeric Smiles
N(c1ccccc1)(C1CCCCC1)C(=O)CN1CCC(c2c(cccc2)OC)CC1
Calculated Properties
JChem
Acid pKa
17.528318
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.871449
LogD (pH = 7.4)
4.5156093
Log P
4.879309
Molar Refractivity
121.7289
Polarizability
47.59232
Polar Surface Area
32.78
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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