Molecule

ID:129394

General Information
Structure
MolImage
Molecular Formula
C₂₈H₃₀N₄O₄
Molecular Mass
486.5622
Exact Mass
486.22670546
Charge
0
InChI
InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33)
InChIKey
JRNUKVFYILMMLX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C
Isomeric Smiles
CN(C)CCOc1cc(ccc1OC)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(C)n1
Calculated Properties
JChem
Acid pKa
11.545984
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
2.1210182
LogD (pH = 7.4)
3.8693051
Log P
5.182182
Molar Refractivity
153.1823
Polarizability
54.889763
Polar Surface Area
89.72
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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