Molecule
ID:75819
General Information
Molecular Formula
C₂₅H₂₂N₂O₂
Molecular Mass
382.45438
Exact Mass
382.16812795
Charge
0
InChI
InChI=1S/C25H22N2O2/c1-2-29-24(28)23-18-27(19-26-23)25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,2H2,1H3
InChIKey
KXDKACKOPKUCBU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
n1cn(cc1C(=O)OCC)C(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.7734323
LogD (pH = 7.4)
5.781439
Log P
5.7815423
Molar Refractivity
115.3616
Polarizability
43.970318
Polar Surface Area
44.12
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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