Molecule

ID:136395

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₈N₂O₅
Molecular Mass
376.44672
Exact Mass
376.19982201
Charge
0
InChI
InChI=1S/C20H28N2O5/c1-2-26-18(23)13-20(15-25-16-20)22-10-6-9-21(11-12-22)19(24)27-14-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3
InChIKey
YCGLFHPWQBYHLO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(COC1)N1CCCN(CC1)C(=O)OCc1ccccc1
Isomeric Smiles
CCOC(=O)CC1(COC1)N1CCCN(CC1)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0532585
LogD (pH = 7.4)
1.634752
Log P
1.6506407
Molar Refractivity
100.347
Polarizability
39.561295
Polar Surface Area
68.31
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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