Molecule
ID:121567
General Information
Molecular Formula
C₁₆H₁₈N₄O₄
Molecular Mass
330.33852
Exact Mass
330.13280508
Charge
0
InChI
InChI=1S/C16H18N4O4/c1-2-24-16(23)19-9-7-18(8-10-19)14-12(11-21)15(22)20-6-4-3-5-13(20)17-14/h3-6,11H,2,7-10H2,1H3
InChIKey
HHKXRGZMFJZKGH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCN(CC1)c1nc2ccccn2c(=O)c1C=O
Isomeric Smiles
c1(nc2n(c(=O)c1C=O)cccc2)N1CCN(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.3312104
LogD (pH = 7.4)
0.33123478
Log P
0.3312351
Molar Refractivity
97.7768
Polarizability
32.42421
Polar Surface Area
82.52
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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