Molecule

ID:92172

General Information
Structure
MolImage
Molecular Formula
C₃₄H₆₀N₂O₂
Molecular Mass
528.8524
Exact Mass
528.46547917
Charge
0
InChI
InChI=1S/C34H60N2O2/c37-33(35(29-19-9-5-10-20-29)30-21-11-6-12-22-30)27-17-3-1-2-4-18-28-34(38)36(31-23-13-7-14-24-31)32-25-15-8-16-26-32/h29-32H,1-28H2
InChIKey
UTVYLEGWWLNNLV-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C1CCCCC1)C1CCCCC1)CCCCCCCCC(=O)N(C1CCCCC1)C1CCCCC1
Isomeric Smiles
O=C(CCCCCCCCC(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
8.746704
LogD (pH = 7.4)
8.746829
Log P
8.74683
Molar Refractivity
158.431
Polarizability
62.867165
Polar Surface Area
40.62
Rotatable Bonds
13
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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