Molecule

ID:103874

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₆N₄O₅
Molecular Mass
426.46564
Exact Mass
426.19031995
Charge
0
InChI
InChI=1S/C22H26N4O5/c23-17(11-15-7-3-1-4-8-15)21(30)24-13-19(27)26-18(22(31)25-14-20(28)29)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14,23H2,(H,24,30)(H,25,31)(H,26,27)(H,28,29)
InChIKey
QVOBNSFUVPLVPE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(Cc1ccccc1)N
Isomeric Smiles
NC(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.540448
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-2.2768452
LogD (pH = 7.4)
-2.4326217
Log P
-2.2795742
Molar Refractivity
112.6397
Polarizability
44.03858
Polar Surface Area
150.62
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation