Molecule
ID:58990
General Information
Molecular Formula
C₂₂H₂₀N₂O₅
Molecular Mass
392.4046
Exact Mass
392.13722175
Charge
0
InChI
InChI=1S/C22H20N2O5/c1-3-29-22(27)19-14(17-12-13(28-2)8-9-18(17)23-19)10-11-24-20(25)15-6-4-5-7-16(15)21(24)26/h4-9,12,23H,3,10-11H2,1-2H3
InChIKey
AGZWJQDJMAWCAW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1CCN1C(=O)c3c(C1=O)cccc3)cc(cc2)OC
Isomeric Smiles
c1(ccc2[nH]c(c(c2c1)CCN1C(=O)c2c(C1=O)cccc2)C(=O)OCC)OC
Calculated Properties
JChem
Acid pKa
11.3378935
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.1516097
LogD (pH = 7.4)
3.1515663
Log P
3.1516101
Molar Refractivity
107.7802
Polarizability
41.39933
Polar Surface Area
88.7
Rotatable Bonds
7
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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