Molecule

ID:24409

General Information
Structure
Molecular Formula
C₂₀H₂₆N₄O
Molecular Mass
338.44664
Exact Mass
338.21066147
Charge
0
InChI
InChI=1S/C20H26N4O/c21-22-19(25)11-12-23-13-15-24(16-14-23)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20H,11-16,21H2,(H,22,25)
InChIKey
MHZCKLOUKARQDP-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
N1(C(c2ccccc2)c2ccccc2)CCN(CCC(=O)NN)CC1
Calculated Properties
JChem
Acid pKa
12.750094
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.7822298
LogD (pH = 7.4)
0.95731074
Log P
2.1575801
Molar Refractivity
102.0239
Polarizability
39.633022
Polar Surface Area
61.6
Rotatable Bonds
6
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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