Molecule

ID:60973

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₄O₂
Molecular Mass
326.39288
Exact Mass
326.17427596
Charge
0
InChI
InChI=1S/C18H22N4O2/c1-3-24-17(23)16-13-19-18(20-14(16)2)22-11-9-21(10-12-22)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3
InChIKey
VIHNMZBOTFBRSK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(nc1C)N1CCN(CC1)c1ccccc1
Isomeric Smiles
c1(nc(c(C(=O)OCC)cn1)C)N1CCN(CC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.0645351
LogD (pH = 7.4)
3.0664358
Log P
3.0664601
Molar Refractivity
95.0109
Polarizability
35.084827
Polar Surface Area
58.56
Rotatable Bonds
5
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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