Molecule

ID:113077

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₈N₄O₄
Molecular Mass
388.46072
Exact Mass
388.2110554
Charge
0
InChI
InChI=1S/C20H28N4O4/c1-5-27-18(25)15-7-6-10-24-16(21-22-17(15)24)13-14-8-11-23(12-9-14)19(26)28-20(2,3)4/h6-7,10,14H,5,8-9,11-13H2,1-4H3
InChIKey
QICKTHOPVGHADR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccn2c1nnc2CC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
c12n(c(nn2)CC2CCN(C(=O)OC(C)(C)C)CC2)cccc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.857392
LogD (pH = 7.4)
1.8578144
Log P
1.8578198
Molar Refractivity
107.369
Polarizability
40.075684
Polar Surface Area
86.03
Rotatable Bonds
7
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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