Molecule

ID:128413

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄N₄O₂
Molecular Mass
376.45156
Exact Mass
376.18992603
Charge
0
InChI
InChI=1S/C22H24N4O2/c27-22(20-7-4-16-28-20)26(21-17-23-11-12-24-21)19-9-14-25(15-10-19)13-8-18-5-2-1-3-6-18/h1-7,11-12,16-17,19H,8-10,13-15H2
InChIKey
BJZZDOLVVLWFHN-UHFFFAOYSA-N
Canonic Smiles
O=C(N(c1cnccn1)C1CCN(CC1)CCc1ccccc1)c1ccco1
Isomeric Smiles
C1CN(CCC1N(c1nccnc1)C(=O)c1ccco1)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.6219569
LogD (pH = 7.4)
1.1405628
Log P
2.1884964
Molar Refractivity
107.9167
Polarizability
41.22483
Polar Surface Area
62.47
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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